SCHEMBL9071663

SCHEMBL9071663

C=C(Nc1ccc(C(=O)O)cn1)c1cc(OCc2cc(C)on2)cc(OCc2ccccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.53
RARA P10276 3/20 0.53
RARB P10826 3/20 0.53
RARG P13631 2/20 0.53
NPC1 O15118 1/20 0.41

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
SCHEMBL5451958 0.91 GCK (0.65) GCKRARARARBRARG
SCHEMBL2650573 0.83 GCK (0.54) GCKRARARARBRARGNPC1
SCHEMBL2666296 0.81 GCK (0.77) GCKRARARARBRARG
SCHEMBL5419201 0.77 GCK (0.68) GCKRARARARBRARG
SCHEMBL14505783 0.76 GCK (0.71) GCKRARARARBRARG
SCHEMBL14505768 0.73 GCK (0.61) GCKRARARARBRARG
SCHEMBL2651412 0.73 GCK (0.63) GCKRARARARBRARG
SCHEMBL841204 0.70 MAPT (0.55)
SCHEMBL14811955 0.70 MEN1 (0.44) NPC1
SCHEMBL14190698 0.70 GCK (0.59) GCKRARARARBRARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003000267-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS ASTRAZENECA AB (SE) 2003-01-03 WO disclosed