SCHEMBL31325199

SCHEMBL31325199

CCCCCCCCCCC(C)COP(=O)(O)O.CCCCNCCCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.51
S1PR2 O95136 6/20 0.49
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 6/20 0.49
S1PR5 Q9H228 2/20 0.49
SGPL1 O95470 4/20 0.48
LPAR3 Q9UBY5 3/20 0.47
LPAR5 Q9H1C0 1/20 0.47
S1PR4 O95977 4/20 0.46
SMPD1 P17405 3/20 0.46

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
SCHEMBL8436710 0.91 SGPL1 (0.55) PLA2G4ASGPL1LPAR3LPAR5SMPD1
SCHEMBL29068432 0.91 SGPL1 (0.55) PLA2G4ASGPL1LPAR3LPAR5SMPD1
SCHEMBL31325187 0.85 PLA2G4A (0.51) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL31325203 0.85 PLA2G4A (0.51) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL8436033 0.84 LPAR5 (0.49) S1PR2S1PR1S1PR3S1PR5SGPL1
SCHEMBL31325184 0.83 S1PR2 (0.54) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL28355944 0.83 S1PR2 (0.54) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL31325185 0.82 PLA2G4A (0.48) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL9497586 0.81 S1PR2 (0.51) PLA2G4AS1PR2S1PR1S1PR3S1PR5
SCHEMBL8433415 0.80 FDPS (0.50) SGPL1LPAR3SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118922598-A Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2024-11-08 CN disclosed