SCHEMBL4068361

SCHEMBL4068361

CC=CCC(CCCCC)(C(N)=O)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.48
FAAH O00519 4/20 0.48
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
RIPK1 Q13546 1/20 0.44
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
MMP8 P22894 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4068358 1.00 EPHX2 (0.48) EPHX2FAAHCNR1CNR2RIPK1
SCHEMBL4251588 0.93 EPHX2 (0.52) EPHX2FAAHCNR1CNR2RIPK1
SCHEMBL10934625 0.84 RIPK1 (0.54) EPHX2FAAHCNR1CNR2RIPK1
SCHEMBL4061834 0.84 SOAT2 (0.46) GAAMEN1KMT2A
SCHEMBL4061838 0.84 SOAT2 (0.46) GAAMEN1KMT2A
SCHEMBL2047140 0.82 RIPK1 (0.44) EPHX2FAAHRIPK1CYP2C19GAA
SCHEMBL2047137 0.82 RIPK1 (0.44) EPHX2FAAHRIPK1CYP2C19GAA
SCHEMBL4537660 0.80 CA12 (0.39) EPHX2FAAHCNR2RIPK1
SCHEMBL10936611 0.79 RIPK1 (0.56) EPHX2RIPK1POLBCYP3A4CYP2C19
SCHEMBL2044949 0.77 RIPK1 (0.48) EPHX2FAAHRIPK1CYP2C19GAA

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
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed