SCHEMBL9687604

SCHEMBL9687604

CCC#CCC1(C(=O)O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
FFAR3 O14843 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
SCHEMBL9686990 0.85 CYP2C19 (0.38) CYP2C19GRIK1GRIK2
SCHEMBL9688048 0.82 CYP2C19 (0.42) CYP2C19FFAR3
SCHEMBL1934586 0.78 CYP2C19 (0.47) CYP2C19FFAR3
SCHEMBL1055977 0.73
SCHEMBL27689461 0.72 CYP2C19 (0.45) CYP2C19
SCHEMBL16700278 0.72 CYP2C19 (0.45) CYP2C19
SCHEMBL9688075 0.72
SCHEMBL11381914 0.72 CYP2C19 (0.55) CYP2C19
SCHEMBL9825067 0.71 GRIK1 (0.47) CYP2C19GRIK1GRIK2
SCHEMBL4580987 0.70 CYP2C19 (0.46) CYP2C19FFAR3

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