SCHEMBL9861492

SCHEMBL9861492

CC(C)Oc1ccc(COS(=O)(O)=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A3 P47895 1/20 0.40
ALPL P05186 1/20 0.39

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
SCHEMBL10501977 0.82 CA2 (0.54) KMT2A
SCHEMBL9861747 0.81 IDO1 (0.53) POLBALDH1A1GAANPC1RAB9A
SCHEMBL2254857 0.81 POLB (0.50) POLBKDM4EALDH1A1LMNAHTR2A
SCHEMBL9861684 0.79 MAPK1 (0.50) ALDH1A1LMNAGAANPC1RAB9A
SCHEMBL9861023 0.78 CA2 (0.61) ALDH1A1LMNAKMT2AGAAPARP10
SCHEMBL9861765 0.78 CA2 (0.45) ALDH1A1KMT2ACYP2C19NPC1RAB9A
SCHEMBL9861407 0.75 CA2 (0.46) POLBKDM4EALDH1A1GAA
SCHEMBL10859327 0.74 IDO1 (0.50) KMT2APARP10
SCHEMBL9861379 0.73 CA2 (0.56) ALDH1A1LMNAKMT2AGAAPARP10
SCHEMBL9860969 0.73 NR4A2 (0.45) LMNAKMT2ANPC1RAB9A

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