SCHEMBL7167353

SCHEMBL7167353

O=C(OCc1ccccc1)C(CCCCCCCCI)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ DPP4 P27487 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL8967773 0.88 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1DPP4
SCHEMBL7172023 0.85 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL7167070 0.83 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL7167403 0.81 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7170402 0.81 HPGD (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1HDAC1
SCHEMBL28688698 0.80 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL7412438 0.79 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL7409492 0.79 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL7169912 0.78 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1
SCHEMBL12606879 0.78 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1

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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