SCHEMBL3433773

SCHEMBL3433773

CCC(NC(=O)NCc1ccc(Cl)c(Cl)c1)c1c(CC(=O)O)ccc(OC)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.43
PPARD Q03181 9/20 0.43
PPARG P37231 5/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
RORC P51449 2/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL3433469 0.92 PPARA (0.40) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3426982 0.90 PPARA (0.42) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3396254 0.89 PTGDR2 (0.45) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL15021253 0.88 ITGB1 (0.41) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL139144 0.79 PTGDR2 (0.51)
SCHEMBL3433770 0.78 PTGDR2 (0.54) PPARAPPARDPPARGRORCLMNA
SCHEMBL3433349 0.75 PPARA (0.37) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL139840 0.72 PTGDR2 (0.42) LMNA
SCHEMBL136717 0.71 PTGDR2 (0.54)
SCHEMBL3428624 0.71 CNR2 (0.38) PPARAPPARDPPARGPSEN1PSEN2

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-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP claimed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed