SCHEMBL4775976

SCHEMBL4775976

CC(=O)Oc1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
PPARG P37231 10/20 0.47
MAPT P10636 1/20 0.46
MAPK10 P53779 1/20 0.46
PLA2G2A P14555 3/20 0.44
CCR1 P32246 1/20 0.43
CCR9 P51686 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4774342 0.92 PPARG (0.45) PTGDR2PPARGMAPTMAPK10CCR9
SCHEMBL27768418 0.86 F2RL3 (0.51) PTGDR2PPARGMAPTMAPK10PLA2G2A
SCHEMBL27789972 0.86 MAPT (0.42) PTGDR2PPARGMAPTMAPK10TP53
SCHEMBL28803613 0.86 PPARG (0.56) PPARGPLA2G2A
SCHEMBL27790046 0.85 MAPT (0.44) PPARGMAPTMAPK10TP53
SCHEMBL27790166 0.83 MAPT (0.43) PPARGMAPTMAPK10TP53
SCHEMBL27889074 0.82 PLA2G2A (0.55) PPARGPLA2G2A
SCHEMBL15062378 0.81 PLA2G2A (0.43) PTGDR2PPARGMAPTMAPK10PLA2G2A
SCHEMBL2007815 0.81 LMNA (0.58) PTGDR2MAPTPLA2G2A
SCHEMBL15062720 0.80 PLA2G2A (0.43) PPARGMAPTMAPK10PLA2G2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed