SCHEMBL2654464

SCHEMBL2654464

Cc1cc(OCC(C)Cc2ccc(C(=O)O)cc2)cc(C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
RXRG P48443 1/20 0.40
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 2/20 0.38
GPR88 Q9GZN0 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MCL1 Q07820 1/20 0.37
CASR P41180 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL2654108 0.85 GCGR (0.52)
SCHEMBL2656515 0.84 RAB9A (0.41) RXRARXRBPPARGPPARAADRB1
SCHEMBL2654365 0.82 GCGR (0.44) KDM4ENPC1RAB9A
SCHEMBL2653130 0.82 RAB9A (0.42) RXRARXRBKDM4ENPC1RAB9A
SCHEMBL2661951 0.77 RXRA (0.47) RXRARXRBMRGPRX4NR1H4RXRG
SCHEMBL2653405 0.76 GCGR (0.53) KDM4ENPC1RAB9A
SCHEMBL1765706 0.75 RXRA (0.44) RXRARXRBMRGPRX4PPARGPPARA
SCHEMBL2653686 0.74 GCG (0.47) NPC1RAB9A
SCHEMBL2653527 0.74 GCGR (0.55) PPARA
SCHEMBL4814127 0.73 RARB (0.49) RXRARXRB

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-1957068-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP disclosed
WO-2007120270-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO disclosed
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