SCHEMBL2652928

SCHEMBL2652928

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1CCO

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 1/20 0.51
KIF11 P52732 6/20 0.44
DAO P14920 1/20 0.43
MAOB P27338 1/20 0.40
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.38
AGXT P21549 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 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
SCHEMBL2653214 0.89 RXRA (0.48) RXRARXRBRXRGKIF11DAO
SCHEMBL12226967 0.88 DAO (0.51) RXRARXRBRXRGKIF11DAO
SCHEMBL1779625 0.87 RXRA (0.54) RXRARXRBRXRGKIF11DAO
SCHEMBL2269724 0.82 KIF11 (0.47) RXRARXRBRXRGKIF11DAO
SCHEMBL12603784 0.81 RXRA (0.55) RXRARXRBRXRGKIF11DAO
SCHEMBL2272131 0.80 RXRA (0.50) RXRARXRBRXRGKIF11DAO
SCHEMBL3230214 0.80 RXRA (0.50) RXRARXRBRXRGKIF11DAO
SCHEMBL2653589 0.80 RXRA (0.45) RXRARXRBRXRGKIF11MAPT
SCHEMBL2654304 0.79 RXRA (0.47) RXRARXRBRXRGKIF11MAPT
SCHEMBL12226958 0.78 DAO (0.49) RXRARXRBRXRGDAOPPARD

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