SCHEMBL4655398

SCHEMBL4655398

CC(C)c1cccc(-n2c(C(=O)O)cc3cc(OC(F)(F)F)ccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.58
PLA2G5 P39877 8/20 0.58
PLA2G10 O15496 7/20 0.58
PPARG P37231 3/20 0.48
PTGES O14684 2/20 0.45
NOTUM Q6P988 1/20 0.44
GCGR P47871 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NTRK1 P04629 1/20 0.40
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3575743 0.88 PLA2G10 (0.54) PLA2G2APLA2G5PLA2G10PPARGNOTUM
SCHEMBL3573071 0.81 PLA2G10 (0.48) PLA2G2APLA2G5PLA2G10PPARGNOTUM
SCHEMBL4913430 0.80 PTGES (0.58) PLA2G2APLA2G5PLA2G10PPARGPTGES
SCHEMBL30805871 0.77 PLA2G10 (0.71) PLA2G2APLA2G5PLA2G10
SCHEMBL30805932 0.77 PLA2G10 (0.71) PLA2G2APLA2G5PLA2G10
SCHEMBL4926021 0.76 PTGES (0.61) PLA2G2APLA2G5PLA2G10PPARGPTGES
SCHEMBL10253811 0.74 KDM4E (0.69) ALDH1A1NTRK1GFERKDM4EHPGD
SCHEMBL3575240 0.74 PTGES (0.76) PLA2G2APLA2G5PLA2G10PTGESGCGR
SCHEMBL3568117 0.73 PTGES (0.58) PLA2G2APLA2G5PLA2G10PPARGPTGES
SCHEMBL4925957 0.73 GFER (0.44) PLA2G2APLA2G5PLA2G10PPARGPTGES

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
EP-1776340-B1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2008-12-03 EP disclosed
EP-1776340-A1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2007-04-25 EP disclosed
WO-2006024776-A1 N(1 H-INDOLYL)-1 H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-03-09 WO disclosed