SCHEMBL11318243

SCHEMBL11318243

C=C(C(=O)OC)C(C)C(=O)NCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
MMP8 P22894 1/20 0.47
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
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 1/20 0.42

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
SCHEMBL11309997 0.94 ACHE (0.41) EPHX1MMP8RRM1DPP7
SCHEMBL11371693 0.88 TSHR (0.48) EPHX1MMP8RRM1DPP7ZDHHC20
SCHEMBL11317652 0.84 MMP8 (0.49) EPHX1MMP8RRM1DPP7ZDHHC20
SCHEMBL11318107 0.81 ACHE (0.42) EPHX1MMP8DPP7
SCHEMBL10769236 0.81 EPHX1 (0.61) EPHX1MMP8RRM1DPP7ZDHHC20
SCHEMBL11319795 0.80 ZDHHC2 (0.54) EPHX1ZDHHC2NAAA
SCHEMBL11312775 0.80 ALDH1A1 (0.37)
SCHEMBL29993833 0.78 EPHX1 (0.57) EPHX1MMP8RRM1DPP7ZDHHC20
SCHEMBL11313607 0.77 DPP7 (0.42) EPHX1MMP8RRM1DPP7GNAI3
SCHEMBL6281513 0.77 DPP7 (0.42) EPHX1MMP8RRM1DPP7FNTA

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