SCHEMBL6497642

SCHEMBL6497642

COc1ccc(C=C2SC(=O)NC2=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 9/20 0.61
CYP3A4 P08684 3/20 0.54
PPARG P37231 4/20 0.54
PPARD Q03181 4/20 0.54
PPARA Q07869 4/20 0.54
FOXM1 Q08050 1/20 0.54
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
PDE4B Q07343 1/20 0.48
PIM3 Q86V86 1/20 0.48
TTR P02766 1/20 0.47
CISD1 Q9NZ45 1/20 0.47

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
SCHEMBL6497637 1.00 ESRRA (0.61) ESRRACYP3A4PPARGPPARDPPARA
SCHEMBL6497480 0.89 ESRRA (0.61) ESRRACYP3A4PPARGPPARDPPARA
SCHEMBL6497485 0.89 ESRRA (0.61) ESRRACYP3A4PPARGPPARDPPARA
SCHEMBL7458048 0.84 ESRRA (0.62) ESRRACYP3A4PPARGPPARDPPARA
SCHEMBL7458053 0.84 ESRRA (0.62) ESRRACYP3A4PPARGPPARDPPARA
SCHEMBL6495372 0.83 PPARD (0.64) PPARGPPARDPPARA
SCHEMBL6236808 0.79 ESRRA (0.60) ESRRACYP3A4PPARGPPARAFOXM1
SCHEMBL6236807 0.79 ESRRA (0.60) ESRRACYP3A4PPARGPPARAFOXM1
SCHEMBL6498584 0.77 PIM1 (0.57) ESRRACYP3A4PIM1PIM2PDE4B
SCHEMBL6502439 0.77 PPARD (0.61) PPARGPPARDPPARA

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed