SCHEMBL6571850

SCHEMBL6571850

CCCCCCC(=O)NOP(=O)(O)OCCc1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
FAAH O00519 2/20 0.53
LPAR3 Q9UBY5 3/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
P2RY10 O00398 1/20 0.47
LPAR1 Q92633 2/20 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
SCHEMBL6570365 0.99 EPHX2 (0.56) EPHX2HDAC1HDAC6FAAHLPAR3
SCHEMBL6569856 0.92 CNR1 (0.58) CNR1CNR2P2RY10
SCHEMBL6571796 0.91 CNR1 (0.55) CNR1CNR2P2RY10
SCHEMBL6569880 0.88 P2RY10 (0.51) HDAC1HDAC6LPAR3CNR1CNR2
SCHEMBL6569272 0.88 CNR1 (0.46) EPHX2HDAC1CNR1CNR2P2RY10
SCHEMBL6569386 0.86 EPHX2 (0.50) EPHX2LPAR3LPAR1
SCHEMBL6569223 0.86 EPHX2 (0.50) EPHX2LPAR3LPAR1
SCHEMBL6569347 0.86 EPHX2 (0.50) EPHX2LPAR3LPAR1
SCHEMBL6570358 0.86 EPHX2 (0.50) EPHX2LPAR3LPAR1
SCHEMBL6569306 0.86 EPHX2 (0.50) EPHX2LPAR3LPAR1

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