SCHEMBL10885010

SCHEMBL10885010

CCCCSc1cc(C)cc(SCCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
TLR8 Q9NR97 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FPR1 P21462 1/20 0.36
GPR84 Q9NQS5 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34

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
SCHEMBL10886790 0.92 GPR84 (0.42) PTGS2LMNAGPR84SMN1; SMN2NPSR1
SCHEMBL21638088 0.90 HTT (0.38) PTGS2TLR8MAPTSMN1; SMN2NPC1
SCHEMBL23966831 0.88 MAPT (0.44) PTGS2TLR8LMNAPKMGAA
SCHEMBL202220 0.84 PTGS2 (0.40) PTGS2TLR8LMNAPKMGAA
SCHEMBL10888125 0.82 PTGS2 (0.39) PTGS2TLR8LMNAPKMGAA
SCHEMBL11048831 0.80 HTT (0.36) PTGS2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10884085 0.79 ALOX15 (0.41) PTGS2TLR8LMNAPKMGAA
SCHEMBL200260 0.78 PTGS2 (0.53) PTGS2TLR8LMNAMAPTSMN1; SMN2
SCHEMBL10887277 0.77 THRB (0.44) PTGS2GPR84SMN1; SMN2
SCHEMBL11239493 0.77 PTGS2 (0.36) PTGS2TLR8LMNAPKMGAA

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