SCHEMBL4063364

SCHEMBL4063364

CCCCCSSc1nncs1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
AKT1 P31749 7/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDPK1 O15530 1/20 0.33
ABCB11 O95342 1/20 0.33
AKT2 P31751 1/20 0.33
GAB1 Q13480 1/20 0.33
AKT3 Q9Y243 1/20 0.33

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
SCHEMBL8733596 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL2039575 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL27944886 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL1960442 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL2034620 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL3699523 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL1958580 0.98 FBP1 (0.52) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL8733615 0.89 FBP1 (0.48) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL10427537 0.87 FBP1 (0.47) FBP1CYP2C9CYP2C19ALDH1A1AKT1
SCHEMBL28686815 0.81 FBP1 (0.47) FBP1ALDH1A1MAPK1

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
EP-2109657-A1 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-10-21 EP disclosed
WO-2008095966-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2008-08-14 WO disclosed