SCHEMBL15062378

SCHEMBL15062378

CC(=O)Oc1c(C)n(Cc2cccc(Cl)c2)c2cc(Cl)c(C(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.43
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
CYP2C9 P11712 3/20 0.41
EGFR P00533 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX5 P09917 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
TACR2 P21452 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL15062720 0.91 PLA2G2A (0.43) PLA2G2APPARGPPARACYP2C9EGFR
SCHEMBL27789972 0.91 MAPT (0.42) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27789993 0.89 PPARG (0.52) PLA2G2APPARGPPARACYP2C9EGFR
SCHEMBL27905759 0.84 PLA2G2A (0.46) PLA2G2APPARGPPARACYP2C9EGFR
SCHEMBL27889074 0.82 PLA2G2A (0.55) PLA2G2APPARGPPARACYP2C9EGFR
SCHEMBL4774342 0.81 PPARG (0.45) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL4775976 0.81 PTGDR2 (0.49) PLA2G2APPARGMAPTMAPK10PTGDR2
SCHEMBL2011874 0.81 PTGDR2 (0.57) PLA2G2ACYP2C9ALOX5PLA2G1BCYP1A2
SCHEMBL27790166 0.80 MAPT (0.43) PPARGMAPTALDH1A1MAPK10
SCHEMBL6025291 0.79 PLA2G2A (0.67) PLA2G2ACYP2C9PLA2G1BCYP1A2CYP2C19

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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed