SCHEMBL3411652

SCHEMBL3411652

CCOC(=O)Cc1c(C(F)(F)F)cc(OC)c(-c2ccccc2)c1C(CC)NC(=O)NCc1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.38
PPARA Q07869 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
ATM Q13315 3/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL152431 0.73 PTGDR2 (0.47) PPARAKDM4ENPSR1LMNASMN1; SMN2
SCHEMBL3704364 0.71 L3MBTL1 (0.40) ALDH1A1KDM4ENPSR1PPARGL3MBTL1
SCHEMBL3433349 0.70 PPARA (0.37) PPARAALDH1A1EPHX2PPARGPPARD
SCHEMBL3433469 0.70 PPARA (0.40) PPARAEPHX2LMNAPPARGPPARD
SCHEMBL154552 0.69 PTGDR2 (0.51) PPIDPPARALMNAPPARGPPARD
SCHEMBL15021372 0.69 PPID (0.39) PPIDALDH1A1GAA
SCHEMBL3396254 0.69 PTGDR2 (0.45) PPARAPPARGPPARD
SCHEMBL3695157 0.69 PTGDR2 (0.47) CYP3A4
SCHEMBL3694447 0.68 L3MBTL1 (0.41) PPARAALDH1A1KDM4ENPSR1PPARG
SCHEMBL3426982 0.68 PPARA (0.42) PPARALMNAPPARGPPARDSMN1; SMN2

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
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed