SCHEMBL6569962

SCHEMBL6569962

CCCCCCCC(=O)NOP(=O)(O)OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
EPHX2 P34913 1/20 0.46
ENPP2 Q13822 1/20 0.46
ASAH1 Q13510 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ACER2 Q5QJU3 1/20 0.45
CERT1 Q9Y5P4 3/20 0.44
SMPD2 O60906 2/20 0.44
SMPD1 P17405 1/20 0.44
FAAH O00519 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
SCHEMBL4948135 0.79 CETP (0.48) LPAR1LPAR3
SCHEMBL4948696 0.79 CETP (0.48) LPAR1LPAR3
SCHEMBL4946343 0.79 CETP (0.48) LPAR1LPAR3
SCHEMBL4948722 0.79 CETP (0.48) LPAR1LPAR3
SCHEMBL6569223 0.77 EPHX2 (0.50) LPAR1LPAR3EPHX2MEN1KMT2A
SCHEMBL6569306 0.77 EPHX2 (0.50) LPAR1LPAR3EPHX2MEN1KMT2A
SCHEMBL6569347 0.77 EPHX2 (0.50) LPAR1LPAR3EPHX2MEN1KMT2A
SCHEMBL6570358 0.77 EPHX2 (0.50) LPAR1LPAR3EPHX2MEN1KMT2A
SCHEMBL6569386 0.77 EPHX2 (0.50) LPAR1LPAR3EPHX2MEN1KMT2A
SCHEMBL4948497 0.77 CETP (0.44) LPAR1LPAR3MEN1KMT2A

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