SCHEMBL2653473

SCHEMBL2653473

COC(=O)CCNC(=O)c1ccc(CCCC(C)(C)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.49
ESRRB O95718 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
CYP4A11 Q02928 2/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
FABP2 P12104 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP4F2 P78329 1/20 0.41

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
SCHEMBL2654794 0.83 CYP4A11 (0.60) ESRRGALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2655731 0.82 CYP4A11 (0.58) ESRRGALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2656528 0.82 CYP4A11 (0.58) ESRRGALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2656019 0.82 CYP4A11 (0.58) ESRRGALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14551257 0.79 PLK1 (0.57) ESRRGESRRBALDH1A1RAB9ANPC1
SCHEMBL2653637 0.79 CYP4A11 (0.67) ALDH1A1MAPTPOLBCYP4A11CA1
SCHEMBL2654566 0.79 KMT2A (0.54) ESRRGALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2661394 0.79 MEN1 (0.48) ESRRGRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13418128 0.78 ESRRG (0.51) ESRRGESRRBALDH1A1RAB9ANPC1
SCHEMBL15943202 0.76 ESRRG (0.54) ESRRGESRRBRAB9ANPC1SMN1; 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