SCHEMBL2497736

SCHEMBL2497736

COC(=O)C[C@H](c1cccc(O)c1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
FFAR1 O14842 6/20 0.40
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
KDR P35968 1/20 0.39
HIF1A Q16665 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL2498866 1.00 OPRD1 (0.46) OPRD1OPRK1FFAR1SLC6A3MEN1
SCHEMBL15972566 1.00 OPRD1 (0.46) OPRD1OPRK1FFAR1SLC6A3MEN1
SCHEMBL2495215 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL30533375 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL29454583 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL2504416 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL2501419 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL29454615 0.95 OPRD1 (0.48) OPRD1OPRK1FFAR1SLC6A3HIF1A
SCHEMBL12193231 0.87 OPRD1 (0.42) OPRD1OPRK1FFAR1SLC6A3SLC6A4
SCHEMBL12193233 0.87 OPRD1 (0.42) OPRD1OPRK1FFAR1SLC6A3SLC6A4

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
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
CN-102083783-A Substituted biphenyl GPR40 modulators AMGEN INC 2011-06-01 CN disclosed