SCHEMBL2497747

SCHEMBL2497747

CCCC[C@@H](c1cccc(O)c1)C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.46
OPRM1 P35372 3/20 0.46
LMNA P02545 2/20 0.46
SLC22A1 O15245 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KYNU Q16719 1/20 0.43
POLB P06746 1/20 0.43
ADRB1 P08588 2/20 0.40
ADRA1A P35348 2/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
GALR3 O60755 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MME P08473 1/20 0.39
OPRK1 P41145 3/20 0.39
DRD3 P35462 3/20 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
SCHEMBL2494839 1.00 HIF1A (0.46) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL27810362 1.00 HIF1A (0.46) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL2495279 0.91 HIF1A (0.48) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL2503017 0.91 HIF1A (0.48) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL2498460 0.85 OPRM1 (0.57) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL2501603 0.85 OPRM1 (0.57) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL13731381 0.85 OPRM1 (0.57) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL13731382 0.85 OPRM1 (0.57) HIF1AOPRM1LMNASLC22A1KDM4E
SCHEMBL19244780 0.85 POLB (0.53) KDM4EPOLBMME
SCHEMBL11616882 0.85 OPRM1 (0.51) HIF1AOPRM1LMNASLC22A1KDM4E

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