SCHEMBL7169912

SCHEMBL7169912

O=C(OCc1ccccc1)C(CCCCCCCCNS(=O)(=O)C(F)(F)F)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TGM2 P21980 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MMP2 P08253 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
SCHEMBL7166874 0.80 EPHX1 (0.44) CYP2C9CYP2C19EPHX1DPP4DPP8
SCHEMBL8967773 0.78 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1DPP4
SCHEMBL7167353 0.78 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7167070 0.77 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7172023 0.76 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL8824312 0.76 EPHX2 (0.49) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7167403 0.74 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7170402 0.72 HPGD (0.51) CYP3A4CYP2C9CYP2C19HDAC1HDAC7
SCHEMBL32677609 0.72 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL32677608 0.72 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789578-B1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2003-06-04 — — EP disclosed
EP-0789578-A4 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2000-09-20 — — EP disclosed
US-5990083-A Multicatalytic protease inhibitors CEPHALON, INC. (US) 1999-11-23 — — US disclosed
US-5830870-A PREVENT LOSS OF MUSCLE MASS CEPHALON, INC. (US) 1998-11-03 — — US disclosed
CN-1164192-A Inhibitors of heterogeneously catalyzed proteases CEPHALON INC (US) 1997-11-05 — — CN disclosed
EP-0789578-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-08-20 — — EP disclosed
US-5614649-A TREATMENT OF MUSCULAR DISORDERS, SUBSTITUTED GUANIDINES CEPHALON, INC. (US) 1997-03-25 — — US disclosed
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 — — WO disclosed
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