SCHEMBL9861349

SCHEMBL9861349

CC(CCOc1ccc(F)cc1)CCOS(=O)(O)=S

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.37
CXCL12 P48061 1/20 0.37

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
SCHEMBL9861353 0.79 MAPK1 (0.37) MAPK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL9721837 0.78 CXCL12 (0.44) MAPK1KDM4ESMN1; SMN2EPHX2ALDH1A1
SCHEMBL9861684 0.74 MAPK1 (0.50) MAPK1SMN1; SMN2EPHX2HTTTDP1
SCHEMBL9721752 0.73 TDP1 (0.47) MAPK1KDM4ESMN1; SMN2EPHX2TDP1
SCHEMBL14593406 0.72 EPHX2 (0.46) MAPK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL19862541 0.72 TDP1 (0.66) MAPK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL9721831 0.72 TDP1 (0.41) MAPK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL6056484 0.71 MAPK1 (0.43) MAPK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL11231682 0.69 LTA4H (0.55) MAPK1EPHX2TDP1CYP1A2CYP2C19
SCHEMBL11445546 0.68 CYP1A2 (0.50) KDM4ESMN1; SMN2TDP1CYP1A2CYP2D6

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