SCHEMBL27768704

SCHEMBL27768704

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.54
PPARA Q07869 9/20 0.53
CYP2C9 P11712 2/20 0.53
EGFR P00533 1/20 0.53
CHRM4 P08173 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
ALOX5 P09917 1/20 0.53
ADRB3 P13945 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
CHRM3 P20309 1/20 0.53
TACR2 P21452 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRM1 P35372 1/20 0.53
PTGER4 P35408 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL28803613 0.92 PPARG (0.56) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27889074 0.92 PLA2G2A (0.55) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27768418 0.92 F2RL3 (0.51) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL4776128 0.89 PPARG (0.51) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27790173 0.86 PPARG (0.49) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27768488 0.86 PPARG (0.53) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27889089 0.86 PPARG (0.61) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL27789993 0.86 PPARG (0.52) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2006980 0.82 PLA2G2A (0.68) PPARGCYP2C9PLA2G2ACYP1A2CYP2C19
SCHEMBL6025291 0.79 PLA2G2A (0.67) CYP2C9PLA2G2ACYP1A2CYP2C19PLA2G1B

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed