SCHEMBL10857016

SCHEMBL10857016

Cc1cc(C)cc(CSOS(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP10 Q53GL7 1/20 0.32
IDH1 O75874 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
FFAR1 O14842 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAOA P21397 1/20 0.30
CISD1 Q9NZ45 1/20 0.30

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
SCHEMBL9861772 0.83 TAAR1 (0.47) POLBALDH1A1LMNA
SCHEMBL9861031 0.81 BCHE (0.44) ALDH1A1
SCHEMBL9861372 0.79 RAPGEF4 (0.33) POLBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL9861014 0.77 HMGCR (0.36) ALDH1A1
SCHEMBL9861771 0.74 IDO1 (0.43) HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL5078812 0.73 CYP2C19 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL10709455 0.72 CYP2C19 (0.39) ALDH1A1LMNA
SCHEMBL10708916 0.72 CYP2C19 (0.39) ALDH1A1LMNA
SCHEMBL9861753 0.71 BCHE (0.49) EPHX1ALDH1A1SMN1; SMN2
SCHEMBL10859332 0.70 IDO1 (0.43) EPHX1LMNARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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