SCHEMBL1733915

SCHEMBL1733915

CC(C)(C)N(C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
ABL1 P00519 1/20 0.61
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
HSD11B1 P28845 3/20 0.51
DPP4 P27487 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL1261522 0.93 KDM4E (0.56) KDM4ELMNAABL1ALDH1A1MEN1
SCHEMBL2000005 0.87 HRH3 (0.48) KDM4ELMNAABL1ALDH1A1MEN1
SCHEMBL2002031 0.85 HRH3 (0.47) KDM4ELMNAABL1ALDH1A1MEN1
SCHEMBL11909895 0.84 CHRM4 (0.46) KDM4ELMNAABL1ALDH1A1MEN1
SCHEMBL1998372 0.84 GPR119 (0.46) KDM4ELMNAABL1MAPTL3MBTL1
SCHEMBL3783822 0.84 KDM4E (0.57) KDM4ELMNAABL1ALDH1A1MEN1
SCHEMBL2006488 0.82 FFAR4 (0.53) KDM4EALDH1A1MAPTHRH3DPP4
SCHEMBL1844336 0.81 PANK3 (0.49) GPR119DPP4DPP8DPP9DPP7
SCHEMBL4925201 0.81 MCHR1 (0.58)
SCHEMBL327492 0.80 LMNA (0.78) KDM4ELMNAABL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed