SCHEMBL28035478

SCHEMBL28035478

Cc1[c]c(CO)cc(OCCC(C)[SH](=O)=O)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL28008533 0.83 CNR1 (0.30)
SCHEMBL9934651 0.83 PDE2A (0.32)
SCHEMBL12004131 0.82
SCHEMBL28034975 0.78 EPHX2 (0.34) EPHX2MAPK1
SCHEMBL9935244 0.78 ALDH1A1 (0.38) MAPK1
SCHEMBL9935516 0.76 TP53 (0.37) MAPK1
SCHEMBL28008176 0.75
SCHEMBL27933901 0.74 MCL1 (0.37) EPHX2MAPK1
SCHEMBL9935356 0.74 NOS3 (0.33) MAPK1
SCHEMBL9934097 0.73 FFAR1 (0.31)

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-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed