SCHEMBL14865228

SCHEMBL14865228

COCc1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.69
NR4A2 P43354 1/20 0.57
RXRA P19793 5/20 0.56
RXRB P28702 5/20 0.56
AOC3 Q16853 2/20 0.56
MRGPRX4 Q96LA9 3/20 0.54
EGFR P00533 2/20 0.53
RXRG P48443 1/20 0.53
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50

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
SCHEMBL6715356 0.88 BCL2 (0.62) BCL2NR4A2RXRARXRBAOC3
SCHEMBL4440879 0.85 MRGPRX4 (0.71) NR4A2MRGPRX4
SCHEMBL14715123 0.83 NPC1 (0.57) RXRARXRBRXRGRARARARB
SCHEMBL791844 0.83 AGXT (0.66) BCL2NR4A2MRGPRX4
SCHEMBL13232626 0.82 BCL2 (0.55) BCL2RARARARBRARG
SCHEMBL12894973 0.82 BCL2 (1.00) BCL2RXRARXRBAOC3RXRG
SCHEMBL30628893 0.82 MRGPRX4 (0.67) MRGPRX4
SCHEMBL565902 0.82 MRGPRX4 (0.67) MRGPRX4
SCHEMBL6715240 0.81 NR4A2 (0.48) BCL2NR4A2MRGPRX4EGFR
SCHEMBL1338378 0.81 AGXT (0.53) BCL2

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
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed