Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903364

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(CCC)o2)C3[Zr+2]C2C(c3ccc(CCC)o3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1.[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 15)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.34
CHRM1 known ✓ P11229 1/20 0.34
CHRM3 known ✓ P20309 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
S1PR1 P21453 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL6900458 0.96 ALOX5 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6904276 0.95
Hydrochloric Acid SCHEMBL6901945 0.94 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6904462 0.93
Hydrochloric Acid SCHEMBL6901874 0.90 ALOX5 (0.32) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6903498 0.90 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6904729 0.89 HSD11B1 (0.32) NPC1ALDH1A1MAPTNFKB1S1PR1
Hydrochloric Acid SCHEMBL6902479 0.89 KDM4E (0.34) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6902512 0.89 ALDH1A1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6903263 0.88 EIF4A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed