Hydrochloric Acid

Hydrochloric Acid

SCHEMBL540223

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc([Zr+2])c1C2.[Cl-].[Cl-]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29556759 1.00 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Bromide SCHEMBL27651355 0.97 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL30925343 0.86 NPC1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL18261204 0.81 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4833338 0.81 ESR1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL540937 0.81 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL27836242 0.81 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6471558 0.79 CYP1A2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30497613 0.79 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29556735 0.79 CYP1A2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101291960-B Impact copolymer of propylene prepared in single reactor TOTAL PETROCHEMICALS RES FELUY 2012-11-07 CN claimed
CN-101668578-A Process for the polymerization of olefins TOTAL PETROCHEMICALS RES FELUY 2010-03-10 CN claimed
CN-116199813-A Long chain branched polypropylene and preparation method thereof 中国科学院化学研究所 2023-06-02 CN disclosed
CN-111868116-B Ethylene-alpha-olefin-nonconjugated polyene copolymer, process for producing the same, and use thereof 三井化学株式会社 2022-12-09 CN disclosed
CN-111217950-B Poly-alpha-olefin having uniform structure and method for preparing same DL化学株式会社 2022-09-20 CN disclosed
CN-111249059-B Tooth socket 三井化学株式会社 2022-05-17 CN disclosed
CN-111265357-B Tooth socket 三井化学株式会社 2022-04-19 CN disclosed
CN-110312618-B Laminated body 三井化学株式会社 2021-09-07 CN disclosed
CN-110325360-B Laminated body 三井化学株式会社 2021-07-20 CN disclosed
CN-108712893-B Mouthpiece, sheet for producing mouthpiece cover part, and method for producing mouthpiece 三井化学株式会社 2021-02-19 CN disclosed
CN-111868116-A Ethylene-alpha-olefin-nonconjugated polyene copolymer, process for producing the same, and use thereof 三井化学株式会社 2020-10-30 CN disclosed
CN-1791619-A Ethylene polymer MITSUI CHEMICALS INC (JP) 2006-06-21 CN disclosed
CN-1782044-A Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS INC (JP) 2006-06-07 CN disclosed
US-20060116303-A1 decene-ethylene copolymer, zirconium, titanium or hafnium fluorene-containing complexes, organometallics; improved high thermal oxidation stability, viscosity index, low-temperature viscosity properties and shear stability MITSUI CHEMICALS, INC. (JP) 2006-06-01 US disclosed
CN-1759128-A Propylene copolymer, polypropylene composition and use thereof, transition metal compound and olefin polymerization catalyst MITSUI CHEMICALS INC (JP) 2006-04-12 CN disclosed
EP-1632505-A1 ETHYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2006-03-08 EP disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 CN disclosed
EP-1614699-A1 PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION, USE THEREOF, TRANSITION METAL COMPOUNDS, AND CATALYSTS FOR OLEFIN POLYMERIZATION Mitsui Chemicals, Inc. (JP) 2006-01-11 EP disclosed
US-20050228155-A1 Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-10-13 US disclosed
EP-1138687-A1 METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed