SCHEMBL2654943

SCHEMBL2654943

COC(=O)c1ccc(CCCCCCCO)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.57
CYP4F2 P78329 3/20 0.57
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.45
DPP4 P27487 2/20 0.44
CA2 P00918 3/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.41
TTR P02766 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
SCHEMBL31753749 0.99 CYP4A11 (0.59) CYP4A11CYP4F2POLBNPC1DPP4
SCHEMBL27359234 0.88 NPC1 (0.56) CYP4A11CYP4F2POLBNPC1DPP4
SCHEMBL20178618 0.87 ALDH1A1 (0.47) CYP4A11CYP4F2NPC1DPP4ALDH1A1
SCHEMBL19304427 0.85 L3MBTL1 (0.48) CYP4A11NPC1DPP4CA2ALDH1A1
SCHEMBL23309281 0.82 CYP4A11 (0.58) CYP4A11CYP4F2POLBNPC1DPP4
SCHEMBL3653076 0.82 DPP4 (0.51) CYP4A11CYP4F2NPC1DPP4CA2
SCHEMBL25933615 0.82 DPP4 (0.48) CYP4A11CYP4F2NPC1DPP4CA2
SCHEMBL31752834 0.82 DPP4 (0.43) CYP4A11CYP4F2NPC1DPP4CA2
SCHEMBL27150109 0.82 DPP4 (0.50) CYP4A11CYP4F2NPC1DPP4CA2
Hydrochloric Acid SCHEMBL12499484 0.81 DPP4 (0.50) CYP4A11CYP4F2NPC1DPP4CA2

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