SCHEMBL9860970

SCHEMBL9860970

O=S(=O)(O)OSCCCOc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
RAB9A P51151 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 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
SCHEMBL9860993 0.95 KDM4E (0.42) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL9861394 0.91 MAPT (0.40) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL9861091 0.84 KCNA3 (0.48) ALDH1A1DRD4DRD2DRD3L3MBTL1
SCHEMBL9861514 0.79 KCNA3 (0.52) ALDH1A1L3MBTL1PKMRECQL
SCHEMBL9861795 0.78 KCNA3 (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL9861157 0.78 KCNA3 (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL9861831 0.76 RAB9A (0.46) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9860986 0.75 CA1 (0.41) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL9860965 0.72 KDM4E (0.43) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL9860989 0.72 KDM4E (0.46) ALDH1A1KDM4EDRD4DRD2DRD3

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