SCHEMBL6569503

SCHEMBL6569503

CCCCCCNC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
EPHX1 P07099 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CETP P11597 4/20 0.47
NAAA Q02083 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 2/20 0.42

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
SCHEMBL6570382 0.84 HPGD (0.52) HPGDEPHX1ALDH1A1HTTCETP
SCHEMBL6570358 0.84 EPHX2 (0.50) HPGDALDH1A1CETPKMT2AMEN1
SCHEMBL6569306 0.84 EPHX2 (0.50) HPGDALDH1A1CETPKMT2AMEN1
SCHEMBL6569347 0.84 EPHX2 (0.50) HPGDALDH1A1CETPKMT2AMEN1
SCHEMBL6569386 0.84 EPHX2 (0.50) HPGDALDH1A1CETPKMT2AMEN1
SCHEMBL6569223 0.84 EPHX2 (0.50) HPGDALDH1A1CETPKMT2AMEN1
SCHEMBL6568523 0.83 CETP (0.48) CETPNPC1RAB9ALMNA
SCHEMBL6568704 0.82 EPHX2 (0.48) HPGDCETPKMT2AMEN1EPHX2
SCHEMBL6570330 0.81 TDP1 (0.46) HPGDCETPKMT2AMEN1NPC1
SCHEMBL6568541 0.81 CETP (0.46) HPGDCETPKMT2AMEN1KDM4E

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