SCHEMBL6941867

SCHEMBL6941867

CCOC(=O)C1(CCCOc2ccc3c(c2)C=C(c2nccn2C)C(CCc2ccccc2)O3)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 13/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL9030461 0.93 ALOX5 (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL9030844 0.86 ALOX5 (0.33) MEN1KMT2AMAPTMAPK1
SCHEMBL9031631 0.85 ALOX5 (0.38)
SCHEMBL9293696 0.84 ALOX5 (0.34) MEN1KMT2AMAPTMAPK1
SCHEMBL9029933 0.83 ALOX5 (0.36)
SCHEMBL9030875 0.83 ALOX5 (0.32)
SCHEMBL9030891 0.82 PPARA (0.40)
Cyclohexane Carboxamide SCHEMBL9031627 0.79 ALOX5 (0.39) MAPT
SCHEMBL9030937 0.78 POLB (0.37) ALDH1A1L3MBTL1POLBOPRM1OPRD1
SCHEMBL9029136 0.78 ALOX5 (0.35) MEN1KMT2AMAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US claimed
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP claimed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed