SCHEMBL6569331

SCHEMBL6569331

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.45
PLA2G4A P47712 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44
POLB P06746 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
S1PR5 Q9H228 4/20 0.43
S1PR2 O95136 2/20 0.42

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
SCHEMBL6569233 0.91 GPR88 (0.45) GPR88ALDH1A1ASAH1ACER2POLB
SCHEMBL6569383 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6568705 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6569341 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6569302 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6570288 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6570354 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL7618294 0.82 LPAR3 (0.58) PLA2G4AALDH1A1ASAH1ACER2LPAR1
SCHEMBL6571650 0.82 HDAC3 (0.45) GPR88
SCHEMBL6568701 0.81 LPAR3 (0.56) PLA2G4AALDH1A1ASAH1ACER2LPAR1

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