SCHEMBL2495828

SCHEMBL2495828

CC(C(=O)O)[C@H](CC1CC1)c1cc(O)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
CTSL P07711 2/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
FFAR1 O14842 6/20 0.31
FOLH1 Q04609 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL27830838 1.00 HCAR1 (0.35) HCAR1GRNSORT1CTSLCA12
SCHEMBL2503184 1.00 HCAR1 (0.35) HCAR1GRNSORT1CTSLCA12
SCHEMBL2503341 0.81 HCAR1 (0.40) HCAR1CA12CA1CA9FOLH1
SCHEMBL2503237 0.81 HCAR1 (0.40) HCAR1CA12CA1CA9FOLH1
SCHEMBL2499342 0.79 FFAR1 (0.43) FFAR1
SCHEMBL2505238 0.79 FFAR1 (0.43) FFAR1
SCHEMBL3659553 0.75 HCAR1 (0.37) HCAR1GRNSORT1CTSLCA12
SCHEMBL3653714 0.75 HCAR1 (0.37) HCAR1GRNSORT1CTSLCA12
SCHEMBL2503179 0.73 HCAR1 (0.35) HCAR1CA12CA1CA9FFAR1
SCHEMBL2495823 0.73 HCAR1 (0.35) HCAR1CA12CA1CA9FFAR1

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