SCHEMBL3396254

SCHEMBL3396254

CCC(NC(=O)NCc1ccccc1)c1c(CC(=O)O)ccc(OC)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
PPARA Q07869 13/20 0.45
PPARD Q03181 8/20 0.45
PPARG P37231 7/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MTTP P55157 2/20 0.41
CTSD P07339 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
SCHEMBL3426982 0.91 PPARA (0.42) PTGDR2PPARAPPARDPPARGPSEN1
SCHEMBL3433773 0.89 PPARA (0.43) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL15021253 0.87 ITGB1 (0.41) PTGDR2PPARAPPARDPPARGPSEN1
SCHEMBL3433349 0.82 PPARA (0.37) PTGDR2PPARAPPARDPPARGPSEN1
SCHEMBL3433469 0.80 PPARA (0.40) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL150878 0.77 PTGDR2 (0.60) PTGDR2PPARAPPARGPSEN1PSEN2
SCHEMBL27985763 0.77 PTPN1 (0.43) PTGDR2PPARAPPARG
SCHEMBL1235425 0.76 PTGDR2 (0.63) PTGDR2PPARAPPARDPPARG
SCHEMBL138451 0.75 PTGDR2 (0.62) PTGDR2
SCHEMBL3411869 0.74 PTGDR2 (0.43) PTGDR2

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