SCHEMBL9861514

SCHEMBL9861514

O=S(=O)(O)OSCCCCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.40
MGLL Q99685 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL9861795 0.98 KCNA3 (0.50) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9861157 0.98 KCNA3 (0.50) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9861091 0.95 KCNA3 (0.48) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9860993 0.84 KDM4E (0.42) ALDH1A1RECQLPKML3MBTL1
SCHEMBL9861080 0.83 HRH3 (0.47)
SCHEMBL9860970 0.79 ALDH1A1 (0.40) ALDH1A1RECQLPKML3MBTL1
SCHEMBL5078177 0.79 CA2 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9861831 0.74 RAB9A (0.46) ALDH1A1FDPS
SCHEMBL5078164 0.74 CA2 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5704307 0.74 KCNA3 (0.61) KCNA3HDAC1HDAC2HDAC3HDAC4

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