SCHEMBL6571999

SCHEMBL6571999

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.41
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 1/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6568697 0.88 EPHX2 (0.48) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6570149 0.88 EPHX2 (0.48) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6569537 0.88 EPHX2 (0.48) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6568541 0.86 CETP (0.46) CETPSIRT2SIRT1EPHX2HPGD
SCHEMBL6569924 0.84 CETP (0.41) CETPSIRT2SIRT1SIRT3EPHX2
SCHEMBL6571685 0.82 CTSK (0.44) CETP
SCHEMBL17817019 0.79 CETP (0.49) CETPEPHX2
SCHEMBL6571795 0.78 EPHX2 (0.47) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6571567 0.77 EPHX2 (0.46) CETPEPHX2HPGDMEN1KMT2A
SCHEMBL6569386 0.74 EPHX2 (0.50) CETPEPHX2HPGDMEN1KMT2A

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