Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903263

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Zr+2]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.36

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 3)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 15/20 0.36
HSD11B1 P28845 2/20 0.36
PSMB5 P28074 1/20 0.32

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 SCHEMBL6901804 0.96 HSD11B1 (0.36) EIF4A1HSD11B1
Hydrochloric Acid SCHEMBL6901876 0.94 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL6903886 0.91 NQO2 (0.36)
Hydrochloric Acid SCHEMBL6904729 0.89 HSD11B1 (0.32) HSD11B1
Hydrochloric Acid SCHEMBL6903364 0.88 CHRM2 (0.34)
Hydrochloric Acid SCHEMBL6901945 0.88 CHRM2 (0.32)
Hydrochloric Acid SCHEMBL6902799 0.86 CHRM2 (0.36)
Hydrochloric Acid SCHEMBL6898160 0.85 RARB (0.33) HSD11B1
SCHEMBL6902351 0.85 EIF4A1 (0.38) EIF4A1HSD11B1
Hydrochloric Acid SCHEMBL6900458 0.84 ALOX5 (0.34) HSD11B1

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