SCHEMBL2517711

SCHEMBL2517711

CC(COc1ccc(NCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.58
▸ PPARA Q07869 2/20 0.58
▸ FFAR1 O14842 5/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ HIF1A Q16665 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MRGPRX1 Q96LB2 1/20 0.48
▸ FFAR4 Q5NUL3 2/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL2516937 0.92 FFAR1 (0.64) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2514671 0.89 FFAR1 (0.60) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2514423 0.89 FFAR1 (0.53) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2521232 0.88 PPARA (0.53) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2514000 0.88 FFAR1 (0.52) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2521089 0.87 FFAR1 (0.56) PPARGPPARAFFAR1MEN1MAPT
SCHEMBL2521235 0.86 FFAR1 (0.55) PPARAFFAR1MAPTGAA
SCHEMBL2520652 0.86 FFAR1 (0.55) PPARGPPARAFFAR1MEN1KMT2A
SCHEMBL2515845 0.83 MAOB (0.50) FFAR1MEN1MAPTKMT2ATP53
SCHEMBL2518714 0.83 RAB9A (0.54) FFAR1MAPTTP53GAABLM

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
US-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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