SCHEMBL6568541

SCHEMBL6568541

CCCCCCC(=S)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.46
EPHX2 P34913 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY10 O00398 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6569347 0.87 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6569223 0.87 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6569386 0.87 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6570358 0.87 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6569306 0.87 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6571999 0.86 CETP (0.41) CETPEPHX2SIRT2HPGDMEN1
SCHEMBL6569924 0.86 CETP (0.41) CETPEPHX2SIRT2HPGDMEN1
SCHEMBL6568704 0.86 EPHX2 (0.48) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6570330 0.82 TDP1 (0.46) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6568523 0.81 CETP (0.48) CETPP2RY10

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 6 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
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed