SCHEMBL11233630

SCHEMBL11233630

CCOC(=O)c1ccc2c3ccccc3[s+]([O-])c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HCRTR1 O43613 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CDC25B P30305 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAT2A P31153 1/20 0.44
HSD17B2 P37059 1/20 0.43
TNKS O95271 1/20 0.43

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
SCHEMBL11244582 0.82 MAPT (0.49) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL28383910 0.79 KDM4E (0.68) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL3164470 0.78 PARP1 (0.49) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL29951173 0.74 ALDH1A1 (0.49) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL10484294 0.72 ALDH1A1 (0.59) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL10484070 0.72 KMT2A (0.59) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL11244864 0.71 GABRP (0.60) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL6009670 0.71 KDM4E (0.84) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL28260157 0.70 ALDH1A1 (0.57) SMN1; SMN2KDM4EHCRTR1MEN1KMT2A
SCHEMBL110276 0.69 CYP4F2 (0.65) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A

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
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed