SCHEMBL6440684

SCHEMBL6440684

CCOC(=O)C1(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
OPRM1 P35372 6/20 0.54
OPRD1 P41143 3/20 0.53
OPRK1 P41145 3/20 0.53
SLC22A1 O15245 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
KCNH2 Q12809 1/20 0.53
ADAM17 P78536 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KCNA3 P22001 1/20 0.51
MAOB P27338 1/20 0.50
NR4A2 P43354 1/20 0.49

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
SCHEMBL7807431 0.95 ALOX5 (0.55) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7810873 0.92 ALOX5 (0.67) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL24901890 0.85 ADAM17 (0.49) ALOX5ADAM17MAOBNR4A2
SCHEMBL10083334 0.84 MAOB (0.57) ADAM17KDM4EMAOBNR4A2
SCHEMBL2846350 0.83 ADAM17 (0.60) ALOX5ADAM17MAOBNR4A2
SCHEMBL4944704 0.82 ADAM17 (0.49) ALOX5ADAM17KDM4EMAOBNR4A2
SCHEMBL9264156 0.82 ALOX5 (0.76) ALOX5OPRM1
SCHEMBL7811102 0.81 ALOX5 (0.58) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL23163726 0.80 ADAM17 (0.57) ALOX5ADAM17MAOB
SCHEMBL7810991 0.80 ALOX5 (0.57) ALOX5OPRM1OPRD1OPRK1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed