SCHEMBL4434802

SCHEMBL4434802

CCc1ccc(-c2ccccc2)c(CC)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.43
PLA2G2A P14555 3/20 0.40
KMT2A Q03164 2/20 0.40
USP7 Q93009 3/20 0.40
PLA2G1B P04054 5/20 0.39
PLA2G2E Q9NZK7 2/20 0.39
PLA2G5 P39877 1/20 0.39
FOLH1 Q04609 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
DPP4 P27487 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL7133144 0.81 BCAT2 (0.43) BCAT2KMT2AUSP7FOLH1MEN1
SCHEMBL4789155 0.79 BCAT2 (0.50) BCAT2PLA2G2AKMT2AMEN1GAA
SCHEMBL31255442 0.79 BCAT2 (0.42) BCAT2PLA2G2AKMT2AUSP7PLA2G1B
SCHEMBL4444936 0.79 BCAT2 (0.53) BCAT2PLA2G2AKMT2AMEN1CCNC
SCHEMBL14863333 0.78 PTGDR2 (0.39) BCAT2PLA2G2APLA2G1BPLA2G2EPLA2G5
SCHEMBL473259 0.77 DPP4 (0.38) KMT2AUSP7FOLH1DPP4
SCHEMBL22371311 0.76 USP7 (0.48) BCAT2KMT2AUSP7MEN1GAA
Water SCHEMBL474768 0.75 DPP4 (0.37) KMT2AUSP7FOLH1DPP4
SCHEMBL4439618 0.75 BCAT2 (0.62) BCAT2KMT2AMEN1FGFR1FGFR2
SCHEMBL4530801 0.75 MKNK1 (0.46) BCAT2PLA2G2AKMT2AMEN1DHODH

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-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed