SCHEMBL6239255

SCHEMBL6239255

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.55
LPAR1 Q92633 7/20 0.52
LPAR2 Q9HBW0 4/20 0.52
ENPP2 Q13822 4/20 0.52
LPAR5 Q9H1C0 4/20 0.52
LPAR4 Q99677 3/20 0.52
LPAR6 P43657 2/20 0.52
PLA2G4A P47712 2/20 0.50
S1PR2 O95136 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR5 Q9H228 1/20 0.48
CES2 O00748 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
P2RY10 O00398 1/20 0.46
GPR174 Q9BXC1 1/20 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
SCHEMBL6233994 1.00 LPAR3 (0.55) LPAR3LPAR1LPAR2ENPP2LPAR5
SCHEMBL22032619 1.00 LPAR3 (0.55) LPAR3LPAR1LPAR2ENPP2LPAR5
SCHEMBL13616729 0.94 P2RY10 (0.52) LPAR3LPAR1LPAR2ENPP2LPAR5
SCHEMBL10329406 0.86 FAAH (0.54) LPAR1
SCHEMBL16561876 0.84 FAAH (0.47)
SCHEMBL16561864 0.84 FAAH (0.47)
SCHEMBL17707881 0.84 FAAH (0.51) LPAR1
SCHEMBL8882178 0.84 LPAR5 (0.59) LPAR3LPAR1LPAR2ENPP2LPAR5
SCHEMBL12572453 0.83 FAAH (0.46)
SCHEMBL14287850 0.83 FAAH (0.46)

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
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed