SCHEMBL2652782

SCHEMBL2652782

COC(=O)c1ccc(CCC(C)(C)CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.61
CYP4F2 P78329 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.53
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CKS1B P61024 1/20 0.48
SKP2 Q13309 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2653637 0.91 CYP4A11 (0.67) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL19002551 0.85 CYP4A11 (0.62) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL19922221 0.83 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL10965456 0.82 LOXL2 (0.59) CYP4A11CYP4F2LOXL2CA1CA2
Ethylene Glycol SCHEMBL27327703 0.81 CYP4A11 (0.56) CYP4A11CYP4F2LOXL2CA1CA2
Hydrochloric Acid SCHEMBL6364657 0.81 LOXL2 (0.57) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL70185 0.80 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL8337316 0.80 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL2655571 0.79 CYP4A11 (0.79) CYP4A11CYP4F2LOXL2CA1CA2
SCHEMBL11476011 0.79 CYP4A11 (0.59) CYP4A11CYP4F2LOXL2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957068-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP disclosed
WO-2007120270-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO disclosed
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