SCHEMBL6570139

SCHEMBL6570139

COCCCCCC(=O)N[C@@H](COP(=O)(O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 4/20 0.47
GPR88 Q9GZN0 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PLA2G4A P47712 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6568473 0.91 HDAC3 (0.53) GPR88TAS1R3TAS1R1GAAALDH1A1
SCHEMBL6569302 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6570354 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6569383 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6570288 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6569341 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL7618294 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6568705 0.89 LPAR3 (0.58) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6569948 0.88 LPAR1 (0.46) LPAR1LPAR3PLA2G4AALDH1A1ASAH1
SCHEMBL6568701 0.88 LPAR3 (0.56) LPAR1LPAR3PLA2G4AALDH1A1ASAH1

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