SCHEMBL9861692

SCHEMBL9861692

CC(C)CCOc1ccc(CSOS(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
EPHX2 P34913 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MMP3 P08254 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL9861500 0.80 CYP1A2 (0.51) LMNANPC1RAB9AGAATP53
SCHEMBL9861753 0.77 BCHE (0.49) SMN1; SMN2HTTTP53ALDH1A1TSHR
SCHEMBL9861771 0.74 IDO1 (0.43) TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL9861031 0.74 BCHE (0.44) GAAHTTALDH1A1
SCHEMBL9861684 0.73 MAPK1 (0.50) MAPK1EPHX2TDP1LMNASMN1; SMN2
SCHEMBL6947559 0.73 MAPK1 (0.57) MAPK1EPHX2TDP1SMN1; SMN2S1PR1
1,4-Diisopentoxybenzene SCHEMBL2846102 0.73 TDP1 (0.79) MAPK1EPHX2TDP1LMNASMN1; SMN2
SCHEMBL12317755 0.72 TDP1 (0.58) MAPK1EPHX2TDP1LMNASMN1; SMN2
SCHEMBL9861353 0.72 MAPK1 (0.37) MAPK1EPHX2TDP1SMN1; SMN2RAB9A
SCHEMBL9820054 0.72 TDP1 (0.61) MAPK1EPHX2TDP1LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed