SCHEMBL6571745

SCHEMBL6571745

CCCCCCCC(=O)NOP(=O)(O)OCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC8 Q9BY41 2/20 0.43
ACP3 P15309 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
P2RY10 O00398 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL6569250 0.89 HDAC1 (0.44) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL6569272 0.87 CNR1 (0.46) HDAC1CNR1CNR2HDAC3P2RY10
SCHEMBL6570358 0.85 EPHX2 (0.50)
SCHEMBL6569347 0.85 EPHX2 (0.50)
SCHEMBL6569386 0.85 EPHX2 (0.50)
SCHEMBL6569223 0.85 EPHX2 (0.50)
SCHEMBL6569306 0.85 EPHX2 (0.50)
SCHEMBL6569856 0.85 CNR1 (0.58) CNR1CNR2P2RY10
SCHEMBL6571850 0.85 EPHX2 (0.58) HDAC1CNR1CNR2HDAC6P2RY10
SCHEMBL6571796 0.84 CNR1 (0.55) CNR1CNR2P2RY10

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