SCHEMBL2656528

SCHEMBL2656528

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.58
CYP4F2 P78329 2/20 0.58
POLB P06746 1/20 0.56
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 1/20 0.48
ESRRG P62508 1/20 0.47
HSP90AA1 P07900 1/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.44

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 1.00 CYP4A11 (0.58) CYP4A11CYP4F2POLBNPC1RAB9A
SCHEMBL2655731 1.00 CYP4A11 (0.58) CYP4A11CYP4F2POLBNPC1RAB9A
SCHEMBL2654794 0.99 CYP4A11 (0.60) CYP4A11CYP4F2POLBNPC1RAB9A
SCHEMBL14551257 0.83 PLK1 (0.57) POLBNPC1RAB9AALDH1A1ESRRG
SCHEMBL9673644 0.82 CYP4A11 (0.63) CYP4A11CYP4F2HDAC1
SCHEMBL2653473 0.82 ESRRG (0.49) CYP4A11CYP4F2POLBNPC1RAB9A
SCHEMBL2653059 0.82 NPC1 (0.53) NPC1RAB9AALDH1A1ESRRGSMN1; SMN2
SCHEMBL2661669 0.82 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13418128 0.82 ESRRG (0.51) NPC1RAB9AALDH1A1ESRRGPRSS1
SCHEMBL2654532 0.81 HSP90AA1 (0.53) NPC1RAB9AALDH1A1HSP90AA1SMN1; 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-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed