SCHEMBL2654794

SCHEMBL2654794

COC(=O)CCNC(=O)c1ccc(CCCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.60
CYP4F2 P78329 3/20 0.60
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.49
ESRRG P62508 1/20 0.48
HSP90AA1 P07900 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 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
SCHEMBL2656019 0.99 CYP4A11 (0.58) CYP4A11CYP4F2POLBALDH1A1ESRRG
SCHEMBL2655731 0.99 CYP4A11 (0.58) CYP4A11CYP4F2POLBALDH1A1ESRRG
SCHEMBL2656528 0.99 CYP4A11 (0.58) CYP4A11CYP4F2POLBALDH1A1ESRRG
SCHEMBL14551257 0.84 PLK1 (0.57) POLBALDH1A1ESRRGNPC1RAB9A
SCHEMBL2653473 0.83 ESRRG (0.49) CYP4A11CYP4F2POLBALDH1A1ESRRG
SCHEMBL13418128 0.83 ESRRG (0.51) ALDH1A1ESRRGNPC1RAB9APRSS1
SCHEMBL2655863 0.82 MAPT (0.43) CYP4A11CYP4F2POLBALDH1A1ESRRG
SCHEMBL2402293 0.81 PLK1 (0.53) POLBALDH1A1ESRRGNPC1RAB9A
SCHEMBL9673644 0.81 CYP4A11 (0.63) CYP4A11CYP4F2
SCHEMBL2653059 0.80 NPC1 (0.53) ALDH1A1ESRRGNPC1RAB9ASMN1; SMN2

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