SCHEMBL2651440

SCHEMBL2651440

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1CC=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 1/20 0.50
KIF11 P52732 12/20 0.47
DAO P14920 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
AGXT P21549 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
SCHEMBL22265163 0.89 DAO (0.47) RXRARXRBRXRGKIF11DAO
SCHEMBL12603784 0.83 RXRA (0.55) RXRARXRBRXRGKIF11DAO
SCHEMBL2275926 0.83 KIF11 (0.47) RXRARXRBRXRGKIF11CA12
SCHEMBL1779625 0.79 RXRA (0.54) RXRARXRBRXRGKIF11DAO
SCHEMBL2272131 0.79 RXRA (0.50) RXRARXRBRXRGKIF11DAO
SCHEMBL3230214 0.79 RXRA (0.50) RXRARXRBRXRGKIF11DAO
SCHEMBL6443956 0.77 DAO (0.39) RXRARXRBRXRGKIF11DAO
SCHEMBL2652928 0.76 RXRA (0.51) RXRARXRBRXRGKIF11DAO
SCHEMBL14996657 0.76 RXRA (0.48) RXRARXRBRXRGKIF11DAO
SCHEMBL13756280 0.76 RXRA (0.48) RXRARXRBRXRGKIF11CA12

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed