SCHEMBL6504855

SCHEMBL6504855

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.65
PPARA Q07869 11/20 0.65
PPARG P37231 8/20 0.60
EPHX2 P34913 3/20 0.50
HDAC1 Q13547 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL6495372 0.86 PPARD (0.64) PPARDPPARAPPARGPSEN1PSEN2
SCHEMBL6497480 0.81 ESRRA (0.61) PPARDPPARAPPARG
SCHEMBL6497485 0.81 ESRRA (0.61) PPARDPPARAPPARG
SCHEMBL5974242 0.81 PSEN1 (0.73) PPARDPPARAPPARGPSEN1PSEN2
SCHEMBL6503306 0.81 PPARA (0.61) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL6506444 0.80 HDAC1 (0.73) PPARDPPARAPPARGHDAC1
SCHEMBL5796166 0.80 MAPT (0.58) HDAC1HDAC6
SCHEMBL5034488 0.79 ALDH1A1 (0.51)
SCHEMBL13460784 0.77 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL13460817 0.76 PPARD (0.62) PPARDPPARAPPARG

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