Hydrochloric Acid

Hydrochloric Acid

SCHEMBL540937

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc([Hf+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
SCHEMBL18261204 0.81 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL27836242 0.81 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL540223 0.81 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL29556759 0.81 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29556735 0.79 CYP1A2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6471558 0.79 CYP1A2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL27706470 0.79 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL945914 0.79 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30497613 0.79 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL540390 0.79 ALDH1A1 (0.35) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106068291-B Olefin-based resin, its manufacturing method and propylene resin composition 三井化学株式会社 2019-03-12 CN disclosed
CN-109196039-A Composition for thermoplastic elastomer, its manufacturing method and formed body 三井化学株式会社 2019-01-11 CN disclosed
CN-106068291-A Olefin-based resin, its manufacture method and propylene resin composition 三井化学株式会社 2016-11-02 CN disclosed
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
CN-102356100-B Copolymer of olefin and conjugated diene and preparation method thereof MITSU CHEMICALS INC 2014-01-08 CN disclosed
CN-102666561-A Transition metal complex, preparation method for said transition metal complex, trimerization catalyst, preparation method for 1-hexene, preparation method for ethylene polymer, substituted cyclopentadiene compound, and preparation method for said su SUMITOMO CHEMICAL CO 2012-09-12 CN disclosed
CN-102356100-A Copolymer of olefin and conjugated diene and preparation method thereof MITSUI CHEMICALS INC 2012-02-15 CN disclosed
EP-2415792-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 EP disclosed