SCHEMBL7167403

SCHEMBL7167403

CC(C)(C)OC(=O)CCCCCCCC(C(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CACNA1B Q00975 4/20 0.39
▸ KLK7 P49862 2/20 0.39
▸ KLK5 Q9Y337 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL7167070 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTKMT2A
SCHEMBL7406434 0.84 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19CTSLKMT2A
SCHEMBL7406437 0.84 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19CTSLKMT2A
SCHEMBL8967773 0.81 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19ITGB3ITGA2B
SCHEMBL7167353 0.81 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL28635941 0.80 SYK (0.46) MAPTKMT2AL3MBTL1MEN1SYK
SCHEMBL3546854 0.79 MAPT (0.45) MAPTL3MBTL1SYK
SCHEMBL3546849 0.79 MAPT (0.45) MAPTL3MBTL1SYK
SCHEMBL7172023 0.79 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19CTSLKMT2A
SCHEMBL14037218 0.78 LTA4H (0.50) MAPTL3MBTL1SYK

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
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
US-5550262-A TREATMENT OF MUSCLES WASTING DISEASES CEPHALON, INC. (US) 1996-08-27 — — US disclosed
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 — — WO disclosed
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