SCHEMBL28034969

SCHEMBL28034969

CC(CCOc1cc[c]cc1)[SH](=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
RARB P10826 1/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
FDPS P14324 1/20 0.32
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL920141 0.80 TDP1 (0.60) EPHX2TDP1MAPK1RARBGAA
SCHEMBL1244396 0.78 TDP1 (0.48) EPHX2TDP1MAPK1RARBGAA
SCHEMBL27949226 0.78
SCHEMBL28034975 0.76 EPHX2 (0.34) EPHX2TDP1MAPK1TSHR
SCHEMBL28034976 0.76 TDP1 (0.33) EPHX2TDP1MAPK1
SCHEMBL10608344 0.75 RARB (0.50) EPHX2TDP1MAPK1RARBGAA
SCHEMBL1462725 0.75 TDP1 (0.42) EPHX2TDP1MAPK1TP53SMN1; SMN2
SCHEMBL658916 0.75 FDPS (0.47) EPHX2TDP1MAPK1RARBGAA
SCHEMBL8960107 0.74 TDP1 (0.41) EPHX2TDP1MAPK1GAAHTT
SCHEMBL8960105 0.74 TDP1 (0.41) EPHX2TDP1MAPK1GAAHTT

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