SCHEMBL6072885

SCHEMBL6072885

CCOC(=O)C1(C(=O)OCC)c2cc(C(F)(F)F)ccc2NC1CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL6072783 0.90 MAPT (0.39) CETPCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6072879 0.88 ALDH1A1 (0.40) CETPCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6072966 0.82 ALDH1A1 (0.37) CETPCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6073346 0.78 MAPT (0.40) CETPCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6072846 0.74 CETP (0.50) CETPCYP1A2CYP2C9CYP2C19POLB
SCHEMBL6072746 0.71 CETP (0.48) CETPCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6072901 0.69 CETP (0.43) CETPALDH1A1MAPTHPGDGAA
SCHEMBL4520334 0.69 CXCR5 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL6072911 0.68 CETP (0.47) CETPALDH1A1MAPTHPGDPOLB
SCHEMBL9704892 0.68 MAPT (0.46) CYP1A2CYP2C19ALDH1A1MAPTHPGD

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-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed