SCHEMBL9716396

SCHEMBL9716396

CCCCCCCCCCCCCCCCCCOCC(O)CSCCO

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.62
HTT P42858 2/20 0.56
LPAR5 Q9H1C0 4/20 0.49
PLA2G4B P0C869 1/20 0.47
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G2C Q5R387 2/20 0.42
LPAR1 Q92633 7/20 0.39
LPAR3 Q9UBY5 7/20 0.39
LPAR2 Q9HBW0 4/20 0.39
LPAR6 P43657 3/20 0.39
LPAR4 Q99677 3/20 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
SCHEMBL1063048 1.00 USP2 (0.62) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL13934694 0.93 USP2 (0.51) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11580806 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11580000 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11738785 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11735424 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL7797300 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11739224 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11732384 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1
SCHEMBL11734597 0.90 USP2 (0.61) USP2HTTLPAR5PLA2G4BMEN1

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed