Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902844

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3[Zr+2]C2C(c3ccc(-c4ccccc4)s3)=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 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
PTPN1 P18031 1/20 0.34
PSMB5 P28074 1/20 0.33
EIF4A1 P60842 1/20 0.33
LTB4R2 Q9NPC1 2/20 0.32
BRS3 P32247 2/20 0.32
RARB P10826 1/20 0.31
DHODH Q02127 1/20 0.31
CDC25B P30305 2/20 0.31
DUSP3 P51452 2/20 0.31
TP53 P04637 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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 SCHEMBL6903340 0.96 HSD11B1 (0.37) HSD11B1RARB
Hydrochloric Acid SCHEMBL6902675 0.94 PTPN1 (0.32) PTPN1TP53
Hydrochloric Acid SCHEMBL6902491 0.91 TP53 (0.37) PTPN1TP53
Hydrochloric Acid SCHEMBL6901064 0.90 HSD11B1 (0.34) HSD11B1PTPN1PSMB5BRS3
Hydrochloric Acid SCHEMBL6896959 0.89 NPC1 (0.31) PTPN1
Hydrochloric Acid SCHEMBL6898606 0.89 NPC1 (0.31) PTPN1
Hydrochloric Acid SCHEMBL6895555 0.86 HSD11B1 (0.35) HSD11B1RARB
Hydrochloric Acid SCHEMBL6904131 0.86 HSD17B1 (0.34)
Hydrochloric Acid SCHEMBL6903746 0.85 KDM4E (0.32) HSD11B1RARB
Hydrochloric Acid SCHEMBL6903211 0.85 KDM4E (0.32) HSD11B1RARB

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