Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4396009

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC(c4ccccc4)=CC3)c1C2[Zr+2].[Cl-].[Cl-]

nearest known ligand 0.32

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 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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 SCHEMBL3166797 0.82
Hydrochloric Acid SCHEMBL6872865 0.78 CHRNB2 (0.31)
Hydrochloric Acid SCHEMBL3162131 0.78
Hydrochloric Acid SCHEMBL6757539 0.77
Hydrochloric Acid SCHEMBL2839069 0.74 CYP19A1 (0.34) CYP19A1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL3683973 0.72 NPC1 (0.33) CYP19A1NPC1ALDH1A1PLA2G1BNFKB1
Hydrochloric Acid SCHEMBL5367425 0.72 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL674493 0.70 CYP19A1 (0.32) CYP19A1
Hydrochloric Acid SCHEMBL540224 0.70 ALDH1A1 (0.41) CYP19A1NPC1ALDH1A1PLA2G1BNFKB1
Hydrochloric Acid SCHEMBL2778126 0.69 CYP19A1 (0.32) CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614699-B9 PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION, USE THEREOF, TRANSITION METAL COMPOUNDS, AND CATALYSTS FOR OLEFIN POLYMERIZATION MITSUI CHEMICALS INC (JP) 2009-12-16 EP disclosed
EP-1988104-A1 Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1985637-A1 Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization Mitsui Chemicals, Inc. (JP) 2008-10-29 EP disclosed
EP-1985638-A1 Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization Mitsui Chemicals, Inc. (JP) 2008-10-29 EP disclosed
EP-1614699-B1 PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION, USE THEREOF, TRANSITION METAL COMPOUNDS, AND CATALYSTS FOR OLEFIN POLYMERIZATION MITSUI CHEMICALS INC (JP) 2008-10-15 EP disclosed