SCHEMBL9861091

SCHEMBL9861091

O=S(=O)(O)OSCCCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9861514 0.95 KCNA3 (0.52) KCNA3ALDH1A1RECQLPKML3MBTL1
SCHEMBL9861795 0.94 KCNA3 (0.50) KCNA3ALDH1A1RECQLPKMFDPS
SCHEMBL9861157 0.94 KCNA3 (0.50) KCNA3ALDH1A1RECQLPKMFDPS
SCHEMBL9860970 0.84 ALDH1A1 (0.40) ALDH1A1RECQLPKML3MBTL1DRD2
SCHEMBL9860993 0.80 KDM4E (0.42) ALDH1A1RECQLPKML3MBTL1DRD2
SCHEMBL9861080 0.78 HRH3 (0.47) DRD2DRD4
SCHEMBL5078177 0.77 CA2 (0.45) ALDH1A1L3MBTL1FDPSHDAC1HDAC2
SCHEMBL9861831 0.75 RAB9A (0.46) ALDH1A1FDPSCYP2C19NPC1
SCHEMBL5078164 0.75 CA2 (0.46) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL9861394 0.74 MAPT (0.40) ALDH1A1RECQL

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