SCHEMBL3397145

SCHEMBL3397145

CCNCc1c(CC(=O)OCC)ccc(OC)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.39
PPARD Q03181 5/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
PPARG P37231 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL3393662 0.93 PPARA (0.40) PPARAPPARDMAPTPPARGPSEN1
SCHEMBL3406684 0.88 ELANE (0.41) MAPTSMN1; SMN2THRBKDM4EMEN1
SCHEMBL1642693 0.82 PPARA (0.37) PPARAPPARDMAPTPPARGMEN1
SCHEMBL3406283 0.82 TRPV1 (0.42) PPARAPPARDMAPTPPARGKDM4E
SCHEMBL17387655 0.81 DPP4 (0.38) POLBMAPTNPSR1KDM4EMEN1
SCHEMBL3407745 0.81 AKR1C3 (0.39) PPARAPPARDPPARGNPSR1PSEN1
SCHEMBL3432491 0.80 MAPT (0.39) MAPTNPSR1SMN1; SMN2THRBKMT2A
SCHEMBL3398899 0.80 POLB (0.38) PPARDPOLBMAPTNPSR1THRB
SCHEMBL3405517 0.80 PTGDR2 (0.38)
SCHEMBL3433346 0.79 PTGDR2 (0.45) PPARAPPARDPPARG

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 4 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
EP-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed