SCHEMBL6569247

SCHEMBL6569247

CCCCCCCC(=O)N[C@@H](COP(=O)(O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.50
ACER2 Q5QJU3 1/20 0.50
LPAR1 Q92633 2/20 0.48
LPAR3 Q9UBY5 2/20 0.48
SMPD2 O60906 2/20 0.48
SMPD1 P17405 1/20 0.48
CERT1 Q9Y5P4 1/20 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
SCHEMBL6569117 0.90 ALDH1A1 (0.51) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6569341 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6568705 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6569302 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6570354 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL7618294 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6570288 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6569383 0.88 LPAR3 (0.58) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL6568701 0.86 LPAR3 (0.56) ALDH1A1ASAH1ACER2LPAR1LPAR3
SCHEMBL7618284 0.86 ASAH1 (0.56) ALDH1A1ASAH1ACER2LPAR1SMPD2

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 6 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
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
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 disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed