SCHEMBL4575652

SCHEMBL4575652

NC(=O)C(=O)N(CCc1ccccc1)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.44
S1PR5 Q9H228 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
NPC1 O15118 1/20 0.39
FFAR1 O14842 3/20 0.39
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 1/20 0.39
ALOX5 P09917 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL372389 0.78 S1PR5 (0.48) MRGPRX4S1PR5LMNAHTTLTB4R
SCHEMBL17769265 0.73 S1PR5 (0.43) MRGPRX4S1PR5LMNAHTTNPC1
SCHEMBL2744895 0.72 PARP10 (0.59) MRGPRX4S1PR5LMNAHTTNPC1
SCHEMBL2522702 0.71 MRGPRX4 (0.43) MRGPRX4S1PR5HTTNPC1PTGER1
SCHEMBL229472 0.69 MRGPRX4 (0.69) MRGPRX4S1PR5LMNAHTTPTGER1
SCHEMBL12203142 0.69 MRGPRX4 (0.52) MRGPRX4S1PR5NPC1FFAR1
SCHEMBL30015080 0.69 MEN1 (0.52) S1PR5MEN1KMT2A
SCHEMBL25505310 0.69 MEN1 (0.52) S1PR5MEN1KMT2A
SCHEMBL1128800 0.68 S1PR5 (0.52) MRGPRX4S1PR5LMNANPC1PTGER1
SCHEMBL3954112 0.68 S1PR5 (0.60) MRGPRX4S1PR5FFAR4LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed