SCHEMBL14573956

SCHEMBL14573956

CC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.86
PPARA Q07869 12/20 0.86
CYP2C9 P11712 2/20 0.86
CYP1A2 P05177 1/20 0.86
CYP2D6 P10635 1/20 0.86
CYP2C19 P33261 1/20 0.86
CYP4X1 Q8N118 1/20 0.86
EGFR P00533 1/20 0.71
CHRM4 P08173 1/20 0.71
ADRB1 P08588 1/20 0.71
ADRA2A P08913 1/20 0.71
ALOX5 P09917 1/20 0.71
ADRB3 P13945 1/20 0.71
DRD2 P14416 1/20 0.71
ADRA2B P18089 1/20 0.71
CHRM3 P20309 1/20 0.71
TACR2 P21452 1/20 0.71
DRD1 P21728 1/20 0.71
TBXA2R P21731 1/20 0.71
SLC6A2 P23975 1/20 0.71

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
SCHEMBL14266901 1.00 PPARG (0.86) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2903365 1.00 PPARG (0.86) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2900857 0.96 PPARG (0.91) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2898801 0.93 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2902603 0.93 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2898679 0.93 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2902266 0.93 PPARG (0.77) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2901662 0.91 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2901702 0.91 PPARG (1.00) PPARGPPARACYP2C9CYP1A2CYP2D6
SCHEMBL2896213 0.89 PPARG (0.77) PPARGPPARACYP2C9CYP1A2CYP2D6

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-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed