SCHEMBL6569880

SCHEMBL6569880

CCCCCCCC(=O)NOP(=O)(O)OCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 2/20 0.51
LPAR3 Q9UBY5 3/20 0.50
LPAR1 Q92633 3/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
ENPP2 Q13822 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CETP P11597 1/20 0.48
GPR174 Q9BXC1 2/20 0.47
GPR34 Q9UPC5 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
SCHEMBL6569856 0.92 CNR1 (0.58) P2RY10CNR1CNR2GPR174GPR34
SCHEMBL6571796 0.91 CNR1 (0.55) P2RY10CNR1CNR2GPR174GPR34
SCHEMBL6571850 0.88 EPHX2 (0.58) P2RY10LPAR3LPAR1CNR1CNR2
SCHEMBL6570365 0.87 EPHX2 (0.56) LPAR3CNR1CNR2HDAC1HDAC6
SCHEMBL6569306 0.87 EPHX2 (0.50) LPAR3LPAR1CETP
SCHEMBL6569223 0.87 EPHX2 (0.50) LPAR3LPAR1CETP
SCHEMBL6570358 0.87 EPHX2 (0.50) LPAR3LPAR1CETP
SCHEMBL6569347 0.87 EPHX2 (0.50) LPAR3LPAR1CETP
SCHEMBL6569386 0.87 EPHX2 (0.50) LPAR3LPAR1CETP
SCHEMBL6568704 0.86 EPHX2 (0.48) LPAR1HDAC3CETP

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