SCHEMBL6569906

SCHEMBL6569906

CCCCC(=O)NC(COP(=O)(O)O)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.56
LPAR1 Q92633 5/20 0.51
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
EPHX2 P34913 2/20 0.46

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
SCHEMBL6570351 0.97 LPAR3 (0.60) LPAR3LPAR1EPHX2
SCHEMBL6569349 0.96 LPAR3 (0.61) LPAR3LPAR1EPHX2
SCHEMBL6569585 0.96 LPAR3 (0.61) LPAR3LPAR1EPHX2
SCHEMBL6570500 0.96 LPAR3 (0.61) LPAR3LPAR1EPHX2
SCHEMBL6569080 0.96 LPAR3 (0.61) LPAR3LPAR1EPHX2
SCHEMBL6571659 0.91 MTNR1A (0.47) LPAR3LPAR1MTNR1AMTNR1BEPHX2
SCHEMBL6571635 0.88 LPAR3 (0.51) LPAR3LPAR1MTNR1AMTNR1BEPHX2
SCHEMBL6569292 0.87 LPAR3 (0.52) LPAR3LPAR1MTNR1AMTNR1BEPHX2
SCHEMBL6568365 0.87 LPAR3 (0.52) LPAR3LPAR1MTNR1AMTNR1BEPHX2
SCHEMBL6568461 0.87 LPAR3 (0.52) LPAR3LPAR1MTNR1AMTNR1BEPHX2

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