SCHEMBL6494480

SCHEMBL6494480

CCOC(=O)/C(=C/c1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.54
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
EPHX2 P34913 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ACHE P22303 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CSNK1D P48730 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41

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
SCHEMBL6494482 1.00 PPARA (0.54) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6503306 0.82 PPARA (0.61) PPARAACHEMAPTALDH1A1KMT2A
SCHEMBL6495358 0.78 MAPT (0.48) NPSR1MAPTALDH1A1HPGDKMT2A
SCHEMBL6495363 0.78 MAPT (0.48) NPSR1MAPTALDH1A1HPGDKMT2A
SCHEMBL7943968 0.76 PPARA (0.63) PPARAMAPTKMT2AKDM4EMEN1
SCHEMBL3944626 0.76 PPARD (0.55) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL3944624 0.76 PPARD (0.55) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL3947438 0.76 PPARA (0.84) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6236808 0.73 ESRRA (0.60) PPARAESRRA
SCHEMBL6236807 0.73 ESRRA (0.60) PPARAESRRA

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