SCHEMBL8858413

SCHEMBL8858413

COC(Oc1cccc2c1CCC(CCCO)C2)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP19A1 P11511 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL8858426 0.94 PTGIR (0.48) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL8858411 0.87 PTGIR (0.48) PTGIRCHRM2CHRM1CHRM3PTGDR
SCHEMBL8858419 0.80 PTGIR (0.49) PTGIRCHRM2CHRM1CHRM3PTGDR
SCHEMBL9049015 0.80 PTGIR (0.48) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL9049016 0.79 PTGIR (0.67) PTGIRPTGDR
SCHEMBL8858438 0.79 MTNR1A (0.44) PTGIRCHRM2CHRM1CHRM3MTNR1A
SCHEMBL9049012 0.76 CHRM2 (0.45) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL8410517 0.73 PTGIR (0.48) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL9050300 0.72 PTGIR (0.50) PTGIRCHRM2CHRM1CHRM3CYP19A1
SCHEMBL8812824 0.72 PTGIR (0.47) PTGIRCHRM2CHRM1CHRM3CYP19A1

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-5596009-A TREATMENT OF THROMBOSIS, ATHERIOSCLEROSIS, ANTIISCHEMIC AGENTS, ANTIULCER AGENTS OR HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-01-21 US disclosed