SCHEMBL9861831

SCHEMBL9861831

O=S(=O)(O)OSCCOc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH3A1 P30838 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
AR P10275 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL9861394 0.83 MAPT (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL9860970 0.76 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9861091 0.75 KCNA3 (0.48) NPC1ALDH1A1CYP2C19FDPS
SCHEMBL9860993 0.75 KDM4E (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9861688 0.75 MEN1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9861514 0.74 KCNA3 (0.52) ALDH1A1FDPS
SCHEMBL3459447 0.74 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9861080 0.74 HRH3 (0.47) SMN1; SMN2KMT2ALMNAHTT
SCHEMBL9861795 0.73 KCNA3 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9861157 0.73 KCNA3 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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