SCHEMBL11315593

SCHEMBL11315593

C=C(C#N)C(C)C(=O)NCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
EPHX1 P07099 8/20 0.46
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
NAAA Q02083 2/20 0.42
CASP2 P42575 1/20 0.42
S1PR2 O95136 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL11312504 0.94 DPP7 (0.40) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL10769236 0.81 EPHX1 (0.61) MMP8EPHX1RRM1DPP7ZDHHC20
SCHEMBL29993833 0.78 EPHX1 (0.57) MMP8EPHX1RRM1DPP7ZDHHC20
SCHEMBL11317652 0.78 MMP8 (0.49) MMP8EPHX1RRM1DPP7ZDHHC20
SCHEMBL11318243 0.75 EPHX1 (0.50) MMP8EPHX1RRM1DPP7ZDHHC20
SCHEMBL6654724 0.75 DPP7 (0.56) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL28303860 0.75 DPP7 (0.56) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL10629970 0.74 FNTA (0.56) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL24072564 0.74 EPHX1 (0.61) MMP8EPHX1RRM1DPP7ZDHHC20
SCHEMBL16410230 0.74 EPHX1 (0.61) MMP8EPHX1RRM1DPP7ZDHHC20

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
US-4279833-A COATINGS ASHLAND CHEMICAL COMPANY (US) 1981-07-21 US disclosed