SCHEMBL2654483

SCHEMBL2654483

CC(CCc1ccc(C(=O)O)cc1)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.60
RXRB P28702 3/20 0.60
NR4A2 P43354 2/20 0.60
RARB P10826 2/20 0.49
NR1H4 Q96RI1 5/20 0.48
SRD5A2 P31213 2/20 0.46
BCL2 P10415 1/20 0.45
EPHX2 P34913 3/20 0.45
MAPK1 P28482 1/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXRG P48443 1/20 0.44
RARG P13631 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
PIN1 Q13526 1/20 0.43

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
SCHEMBL2661951 0.87 RXRA (0.47) RXRARXRBNR4A2NR1H4SRD5A2
SCHEMBL2655270 0.85 GCGR (0.53) NR1H4EPHX2
SCHEMBL2655054 0.85 GCGR (0.54) RXRARXRBNR4A2NR1H4EPHX2
SCHEMBL2655312 0.85 GCGR (0.54) RXRARXRBNR4A2NR1H4EPHX2
SCHEMBL2653886 0.85 GCGR (0.54) RXRARXRBNR4A2NR1H4EPHX2
Lifibrol SCHEMBL9484778 0.84 NR4A2 (0.64) RXRARXRBNR4A2RARBNR1H4
Lifibrol SCHEMBL140583 0.84 NR4A2 (0.64) RXRARXRBNR4A2RARBNR1H4
Lifibrol SCHEMBL9478310 0.84 NR4A2 (0.64) RXRARXRBNR4A2RARBNR1H4
SCHEMBL2657119 0.82 NR1H4 (0.47) NR1H4EPHX2
SCHEMBL2655396 0.82 NR1H4 (0.46) NR1H4EPHX2

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