SCHEMBL28510027

SCHEMBL28510027

CCCCCCCCNC(=O)C(C)S

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.57
MMP8 P22894 1/20 0.56
DPP7 Q9UHL4 2/20 0.55
RRM1 P23921 1/20 0.54
CASP2 P42575 1/20 0.52
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
NAAA Q02083 3/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48

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
SCHEMBL26087872 1.00 EPHX1 (0.57) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL1679912 0.86 EPHX1 (0.59) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL11704311 0.84 EPHX1 (0.57) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL929877 0.84 ALDH1A1 (0.48) EPHX1MMP8DPP7RRM1
SCHEMBL25454649 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL10248180 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL5059517 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL14076747 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL16410230 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2
SCHEMBL24072564 0.83 EPHX1 (0.61) EPHX1MMP8DPP7RRM1CASP2

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
CN-112159365-B Method for co-producing OIT and DCOIT 大连百傲化学股份有限公司 2022-05-20 CN disclosed
CN-112159365-A Method for co-producing OIT and DCOIT 大连百傲化学股份有限公司 2021-01-01 CN disclosed