SCHEMBL4537660

SCHEMBL4537660

C/C=C/CC(CCCCC)(C(N)=O)C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA4 P22748 2/20 0.39
LMNA P02545 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CNR2 P34972 1/20 0.38
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
EPHX2 P34913 2/20 0.36
FAAH O00519 1/20 0.36
RIPK1 Q13546 2/20 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
SCHEMBL4068444 0.84 TACR1 (0.37) NPC1
SCHEMBL4068358 0.80 EPHX2 (0.48) CNR2EPHX2FAAHRIPK1
SCHEMBL4068361 0.80 EPHX2 (0.48) CNR2EPHX2FAAHRIPK1
SCHEMBL4061834 0.77 SOAT2 (0.46)
SCHEMBL4061838 0.77 SOAT2 (0.46)
SCHEMBL4251588 0.74 EPHX2 (0.52) CNR2EPHX2FAAHRIPK1
SCHEMBL3965212 0.72 HTT (0.49) CA2LMNATSHRRIPK1
Hexadecane SCHEMBL9298501 0.70 LMNA (0.54) CA12CA1CA2CA4LMNA
Decane SCHEMBL9298496 0.70 LMNA (0.54) CA12CA1CA2CA4LMNA
SCHEMBL4398063 0.67 LTB4R2 (0.64) CA12CA1CA2CA4LMNA

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 1 patent. 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