SCHEMBL8080988

SCHEMBL8080988

C=CCOCC(COP(=O)(O)OP(=O)(O)O)OCCCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.58
LPAR1 Q92633 12/20 0.58
LPAR2 Q9HBW0 8/20 0.48
LPAR5 Q9H1C0 6/20 0.42
LPAR6 P43657 5/20 0.42
LPAR4 Q99677 5/20 0.42
PLA2G2C Q5R387 1/20 0.40
AKT1 P31749 4/20 0.39
AKT2 P31751 3/20 0.39
AKT3 Q9Y243 3/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
PLCG2 P16885 1/20 0.37
GAB1 Q13480 1/20 0.37

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
SCHEMBL2519029 0.90 LPAR3 (0.72) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL10773792 0.90 LPAR3 (0.72) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL6854208 0.87 LPAR3 (0.76) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL2224897 0.85 LPAR3 (0.78) LPAR3LPAR1LPAR2LPAR5LPAR6
Pyrophosphoric Acid SCHEMBL8080994 0.85 LPAR3 (0.50) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL26642971 0.82 P2RY10 (0.57) LPAR3LPAR1
SCHEMBL22778183 0.81 LPAR1 (0.45) LPAR3LPAR1LPAR2PLA2G2CAKT1
SCHEMBL22778250 0.79 LPAR1 (0.43) LPAR3LPAR1LPAR2LPAR5PLA2G2C
SCHEMBL4565926 0.78 LPAR1 (0.51) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL24470522 0.76 LPAR1 (0.54) LPAR3LPAR1LPAR2LPAR5LPAR6

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-0350287-B1 Lipid derivatives of antiviral nucleosides, liposomal incorporation and method of use CHIMERIX INC (US) 2000-09-27 EP disclosed