Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7924965

CC1C2=C(CCCC2)C2=C1C([Ti+](OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1)CCC2.[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 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7919475 0.97 MEN1 (0.34) MEN1KMT2AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7928369 0.89 CHRNA7 (0.32) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL7924500 0.86 CHRNA7 (0.31) MEN1KMT2ACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7925867 0.80 KMT2A (0.35) MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7928513 0.80 MEN1 (0.33) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7925128 0.80
Hydrochloric Acid SCHEMBL7928514 0.79 KDM4E (0.38) MEN1KMT2AKDM4E
SCHEMBL7931154 0.78 MEN1 (0.34) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7930316 0.78
Hydrochloric Acid SCHEMBL7930295 0.77

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