SCHEMBL7170402

SCHEMBL7170402

O=C(OCc1ccccc1)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7166061 0.85 HPGD (0.58) HPGDALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7167353 0.81 CYP3A4 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19HDAC1
SCHEMBL8967773 0.81 CYP3A4 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7172023 0.79 CYP3A4 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7167070 0.77 CYP3A4 (0.46) ALDH1A1MAPK1L3MBTL1LMNAMAPT
SCHEMBL6578347 0.77 TDP1 (0.51) ALDH1A1MAPK1TDP1L3MBTL1LMNA
SCHEMBL9327800 0.75 TDP1 (0.48) HPGDALDH1A1TDP1L3MBTL1LMNA
SCHEMBL9327808 0.75 TDP1 (0.48) HPGDALDH1A1TDP1L3MBTL1LMNA
SCHEMBL408911 0.75 TDP1 (0.49) HPGDALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7167403 0.74 CYP3A4 (0.45) L3MBTL1MAPTCYP3A4CYP2C9CYP2C19

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 7 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
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 — — WO disclosed
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