SCHEMBL2655045

SCHEMBL2655045

COC(=O)c1ccc(CCC(C)(C)COc2cc(C)c(Br)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CYP4A11 Q02928 2/20 0.43
CYP4F2 P78329 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 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
SCHEMBL2654694 0.93 CYP4A11 (0.47) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL2655395 0.81 GCGR (0.41) CYP4A11MAPTLMNATP53MEN1
SCHEMBL2655622 0.77 ALDH1A1 (0.45) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL2652782 0.74 CYP4A11 (0.61) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL2654520 0.74 LMNA (0.49) CCR6HKDC1CYP4A11MAPTALDH1A1
SCHEMBL17386082 0.73 CCR6 (0.56) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL19002551 0.72 CYP4A11 (0.62) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL19922221 0.71 CYP4A11 (0.60) CCR6HKDC1CYP4A11CYP4F2MAPT
SCHEMBL2654945 0.70 RXRA (0.38) CYP4A11CYP4F2TP53RAB9AMEN1
SCHEMBL17429666 0.70 CCR6 (0.59) CCR6HKDC1CYP4A11CYP4F2MAPT

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-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