SCHEMBL2654656

SCHEMBL2654656

COC(=O)c1ccc(CCCCCCCCCO)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.97
CYP4F2 P78329 4/20 0.97
POLB P06746 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.56
DHODH Q02127 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CKS1B P61024 1/20 0.50
SKP2 Q13309 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.49
CA2 P00918 3/20 0.48

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
SCHEMBL1796445 1.00 CYP4A11 (0.97) CYP4A11CYP4F2POLBLOXL2DHODH
SCHEMBL2654036 1.00 CYP4A11 (0.97) CYP4A11CYP4F2POLBLOXL2DHODH
SCHEMBL2653147 1.00 CYP4A11 (0.97) CYP4A11CYP4F2POLBLOXL2DHODH
SCHEMBL1628660 0.98 CYP4A11 (1.00) CYP4A11CYP4F2POLBLOXL2DHODH
SCHEMBL2654777 0.93 CYP4A11 (1.00) CYP4A11CYP4F2POLBLOXL2DHODH
1,4-Butanediol SCHEMBL2722579 0.87 CYP4A11 (0.79) CYP4A11CYP4F2POLBLOXL2ALDH1A1
SCHEMBL6069166 0.86 CYP4A11 (0.73) CYP4A11CYP4F2ALDH1A1MAPT
SCHEMBL12814607 0.86 CYP4A11 (0.73) CYP4A11CYP4F2ALDH1A1MAPT
SCHEMBL10610263 0.86 CYP4A11 (0.73) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL14660877 0.86 CYP4A11 (0.73) CYP4A11CYP4F2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed