Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903286

CC(C)(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3[Zr+2]C2C(c3ccc(-c4ccccc4)s3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.31

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 5)

geneUniProtsupporting neighboursconfidence
PTAFR known ✓ P25105 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ALOX5 P09917 1/20 0.30
ACKR3 P25106 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 SCHEMBL6904131 0.89 HSD17B1 (0.34) HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6901970 0.89 PTAFR (0.31) PTAFR
Hydrochloric Acid SCHEMBL6898784 0.87 RXFP1 (0.33) HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6900355 0.87
Hydrochloric Acid SCHEMBL6902491 0.85 TP53 (0.37) PTAFR
Hydrochloric Acid SCHEMBL6903873 0.85
Hydrochloric Acid SCHEMBL6904119 0.84 PTAFR (0.31) PTAFRHSD17B1HSD17B2ALOX5ACKR3
Hydrochloric Acid SCHEMBL6902697 0.84
Hydrochloric Acid SCHEMBL6902655 0.84 HSD17B1 (0.31) HSD17B1HSD17B2ALOX5ACKR3
Hydrochloric Acid SCHEMBL6898086 0.84 PTAFR (0.32) PTAFR

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