Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7919334

CC1=C(C)C(C)(C)C([Ti+2]OC(=O)c2cccc3ccccc23)=C1C.[Cl-].[Cl-]

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
PLK1 P53350 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL7924580 0.96 CDC25B (0.40) CDC25BPOLBKMT2AGAAKDM4E
Hydrochloric Acid SCHEMBL7919599 0.79 TSHR (0.40) POLBKMT2AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7925567 0.75 CDC25B (0.41) CDC25BPOLBKMT2AGAAKDM4E
SCHEMBL7925818 0.74 CDC25B (0.43) CDC25BPOLBKMT2AGAAKDM4E
SCHEMBL7930687 0.73 CDC25B (0.42) CDC25BPOLBKMT2AGAAKDM4E
SCHEMBL7927280 0.72 CDC25B (0.41) CDC25BPOLBKMT2AGAAKDM4E
SCHEMBL7928258 0.72 CDC25B (0.41) CDC25BPOLBKMT2AGAAKDM4E
SCHEMBL7930318 0.72 CDC25B (0.40) CDC25BPOLBKMT2AGAAKDM4E
Hydrochloric Acid SCHEMBL7930307 0.71 SMN1; SMN2 (0.37) POLBKMT2AKDM4EALDH1A1NPC1
SCHEMBL7928127 0.70 NR4A1 (0.52) CDC25BPOLBKMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed