SCHEMBL9915903

SCHEMBL9915903

C=C(CC(C)O)c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.45
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
KCNA3 P22001 1/20 0.40

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
SCHEMBL342668 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL344058 0.79 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL343558 0.76 OPRM1 (0.67) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17077055 0.76 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9899781 0.75 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14711403 0.73 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13364042 0.72 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10318609 0.72 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29222886 0.71 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18597797 0.71 ABCC3 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed