SCHEMBL6497485

SCHEMBL6497485

COc1ccc(C=C2SC(=O)NC2=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 10/20 0.61
FOXM1 Q08050 1/20 0.60
CYP3A4 P08684 3/20 0.57
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
PIM1 P11309 2/20 0.54
PIM2 Q9P1W9 2/20 0.54
PDE4B Q07343 1/20 0.53
PIM3 Q86V86 1/20 0.53
PTPN1 P18031 1/20 0.52
PPARG P37231 1/20 0.51

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
SCHEMBL6497480 1.00 ESRRA (0.61) ESRRAFOXM1CYP3A4PPARDPPARA
SCHEMBL6497642 0.89 ESRRA (0.61) ESRRAFOXM1CYP3A4PPARDPPARA
SCHEMBL6497637 0.89 ESRRA (0.61) ESRRAFOXM1CYP3A4PPARDPPARA
SCHEMBL7458048 0.84 ESRRA (0.62) ESRRAFOXM1CYP3A4PPARDPPARA
SCHEMBL7458053 0.84 ESRRA (0.62) ESRRAFOXM1CYP3A4PPARDPPARA
SCHEMBL6236807 0.84 ESRRA (0.60) ESRRAFOXM1CYP3A4PPARAPIM1
SCHEMBL6236808 0.84 ESRRA (0.60) ESRRAFOXM1CYP3A4PPARAPIM1
SCHEMBL6504855 0.81 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL6498584 0.81 PIM1 (0.57) ESRRACYP3A4PIM1PIM2PDE4B
SCHEMBL6235536 0.77 ESRRA (0.60) ESRRAFOXM1CYP3A4PPARAPIM1

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