SCHEMBL6571644

SCHEMBL6571644

CCCCCCCC(=O)NC1c2ccccc2CC1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.45
LPAR1 Q92633 7/20 0.44
LPAR3 Q9UBY5 5/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL6569358 1.00 CETP (0.45) CETPLPAR1LPAR3ATMMEN1
SCHEMBL6568538 0.87 LPAR1 (0.42) LPAR1LPAR3EPHX2
SCHEMBL6568781 0.87 LPAR1 (0.42) LPAR1LPAR3EPHX2
SCHEMBL6568534 0.87 LPAR1 (0.42) LPAR1LPAR3EPHX2
SCHEMBL6570321 0.87 LPAR1 (0.42) LPAR1LPAR3EPHX2
SCHEMBL6571706 0.84 CA12 (0.41) LPAR1LPAR3EPHX2
SCHEMBL6569463 0.84 CA12 (0.41) LPAR1LPAR3EPHX2
SCHEMBL6569855 0.75 TRPV1 (0.50) MEN1KMT2AEPHX2
SCHEMBL6569881 0.74 CETP (0.36) CETPLPAR1LPAR3ATM
SCHEMBL13207942 0.67 CETP (0.51) CETPLPAR1LPAR3MEN1KMT2A

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 5 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