SCHEMBL9687019

SCHEMBL9687019

C/C(Cl)=C/CC1(C(=O)O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9687024 1.00 CYP2C19 (0.39) CYP2C19ALDH1A1
SCHEMBL9688989 0.84 CYP2C19 (0.42) CYP2C19
SCHEMBL9687116 0.80 CYP4F2 (0.42) ALDH1A1
SCHEMBL9687113 0.80 CYP4F2 (0.42) ALDH1A1
SCHEMBL23803960 0.75 CYP2C19 (0.35) CYP2C19
SCHEMBL9688054 0.73
SCHEMBL9688051 0.73
SCHEMBL16151058 0.71 CYP2C19 (0.45) CYP2C19ALDH1A1
SCHEMBL2439508 0.69 ALOX5 (0.30) CYP2C19
SCHEMBL2306121 0.69 CYP2C19 (0.52) CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124343-A Carbacyclins, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed