SCHEMBL4084069

SCHEMBL4084069

CC(C)(C)OC(=O)COCCOCCOc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PPARA Q07869 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.41
PPARD Q03181 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 2/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1594471 0.87 APP (0.46) CYP3A4MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL20442778 0.87 KDM4E (0.46) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL16380530 0.87 L3MBTL1 (0.47) PPARAMAPTKDM4ELMNAL3MBTL1
SCHEMBL1594876 0.86 CA12 (0.40) MAPTL3MBTL1MEN1KMT2A
SCHEMBL21348713 0.86 APP (0.48) MAPTL3MBTL1MEN1KMT2A
SCHEMBL31410107 0.86 APP (0.48) MAPTL3MBTL1MEN1KMT2A
SCHEMBL25222743 0.85 APP (0.43) MAPTL3MBTL1MEN1KMT2A
SCHEMBL18858804 0.85 PKM (0.46) PPARAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL28879763 0.85 L3MBTL1 (0.49) PPARAMAPTKDM4ELMNAL3MBTL1
SCHEMBL25252447 0.85 ALDH1A1 (0.45) PPARAMAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed