SCHEMBL10885339

SCHEMBL10885339

CCCSc1cc(SCCC)c(O)c(SCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
PTGS2 P35354 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AR P10275 2/20 0.34
PTGS1 P23219 2/20 0.34
APLNR P35414 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL202220 0.88 PTGS2 (0.40) MAPTPTGS2MAOAMAOBAR
SCHEMBL10887277 0.84 THRB (0.44) PTGS2
SCHEMBL10886492 0.81 SHBG (0.38) TP53PTGS2MAOAMAOBPTGS1
SCHEMBL10690265 0.80 MAPT (0.40) MAPTCA12CA1CA2CA7
SCHEMBL10693117 0.78 MAPT (0.47) MAPTTP53CA12CA1CA2
SCHEMBL10886511 0.78 ALOX15 (0.43) TP53PTGS2ARPTGS1ALDH1A1
SCHEMBL10889062 0.78 CYP2C19 (0.43) MAPTTP53PTGS2PTGS1ALDH1A1
SCHEMBL10885328 0.77 THRB (0.40) PTGS2
SCHEMBL28763167 0.77 THRB (0.43) PTGS2
SCHEMBL10889134 0.77 PTGS2 (0.33) PTGS2MAOAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0122203-B1 (HYDROCARBYLTHIO)PHENOLS AND THEIR PREPARATION ETHYL CORPORATION (US) 1986-12-30 EP disclosed
US-4533753-A SULFIDING A PHENOL USING A DISULFIDE AND ALUMINUM PHENOXIDE CATALYST; OXIDATION RESISTANCE; OIL ADDITIVES ETHYL CORPORATION (US) 1985-08-06 US disclosed
WO-1984004092-A1 (HYDROCARBYLTHIO)PHENOLS AND THEIR PREPARATION ETHYL CORP (US) 1984-10-25 WO disclosed
EP-0122203-A1 (Hydrocarbylthio)phenols and their preparation ETHYL CORPORATION (US) 1984-10-17 EP disclosed