SCHEMBL6569488

SCHEMBL6569488

CCCCCCCC(=O)NC(COP(=O)(O)O)c1cccc(OCCCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.54
LPAR1 Q92633 6/20 0.52
CYSLTR2 Q9NS75 3/20 0.50
CYSLTR1 Q9Y271 3/20 0.50

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
SCHEMBL6569137 1.00 LPAR3 (0.54) LPAR3LPAR1CYSLTR2CYSLTR1
SCHEMBL6568549 0.98 LPAR3 (0.56) LPAR3LPAR1
SCHEMBL6570074 0.97 LPAR3 (0.53) LPAR3LPAR1CYSLTR2CYSLTR1
SCHEMBL6569439 0.95 LPAR3 (0.54) LPAR3LPAR1
SCHEMBL6569412 0.94 LPAR3 (0.55) LPAR3LPAR1
SCHEMBL6568571 0.92 LPAR3 (0.52) LPAR3LPAR1
SCHEMBL6571682 0.92 CYSLTR2 (0.50) LPAR3CYSLTR2CYSLTR1
SCHEMBL6570496 0.92 CYSLTR2 (0.50) LPAR3CYSLTR2CYSLTR1
SCHEMBL6571665 0.91 LPAR3 (0.54) LPAR3LPAR1
SCHEMBL6570500 0.91 LPAR3 (0.61) LPAR3LPAR1

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