SCHEMBL2654572

SCHEMBL2654572

CC(C)(C)c1ccc(COc2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ESRRG P62508 3/20 0.56
POLB P06746 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 3/20 0.53
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 1/20 0.53
S1PR5 Q9H228 1/20 0.53
ESRRB O95718 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL2655124 0.93 NPC1 (0.57) NPC1RAB9AESRRGPOLBCASP3
SCHEMBL2656581 0.93 NPC1 (0.57) NPC1RAB9AESRRGPOLBCASP3
SCHEMBL2655220 0.93 NPC1 (0.57) NPC1RAB9AESRRGPOLBCASP3
SCHEMBL2654702 0.92 NPC1 (0.58) NPC1RAB9AESRRGPOLBCASP3
SCHEMBL2656353 0.91 ESRRG (0.55) NR4A2RXRARXRBNPC1RAB9A
SCHEMBL2654015 0.90 MEN1 (0.54) RXRANPC1RAB9AS1PR1S1PR3
SCHEMBL2655880 0.90 NPC1 (0.56) RXRARXRBNPC1RAB9AS1PR1
SCHEMBL2654768 0.89 S1PR1 (0.66) NPC1RAB9AS1PR1S1PR3S1PR5
SCHEMBL2654593 0.89 NPC1 (0.59) NPC1RAB9AESRRGPOLBCASP3
SCHEMBL2654437 0.88 S1PR1 (0.55) NR4A2NPC1RAB9APOLBSENP7

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 4 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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
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