SCHEMBL6568632

SCHEMBL6568632

CCCCCCCC(=O)NC(COP(=O)(O)O)c1cccc(OC(CC)CC)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.51
LPAR1 Q92633 5/20 0.48
PLA2G4A P47712 2/20 0.47

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
SCHEMBL6569838 0.92 LPAR3 (0.43) LPAR3LPAR1
SCHEMBL6568684 0.91 LPAR3 (0.51) LPAR3LPAR1PLA2G4A
SCHEMBL6570500 0.90 LPAR3 (0.61) LPAR3LPAR1PLA2G4A
SCHEMBL6569585 0.90 LPAR3 (0.61) LPAR3LPAR1PLA2G4A
SCHEMBL6569080 0.90 LPAR3 (0.61) LPAR3LPAR1PLA2G4A
SCHEMBL6569349 0.90 LPAR3 (0.61) LPAR3LPAR1PLA2G4A
SCHEMBL6568549 0.89 LPAR3 (0.56) LPAR3LPAR1
SCHEMBL6569488 0.89 LPAR3 (0.54) LPAR3LPAR1
SCHEMBL6569137 0.89 LPAR3 (0.54) LPAR3LPAR1
SCHEMBL6569412 0.89 LPAR3 (0.55) LPAR3LPAR1PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed