SCHEMBL363235

SCHEMBL363235

Cc1cc(F)ccc1C(C/C(=N\O)c1c[nH]c(=O)c(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
BRD4 O60885 1/20 0.34
EPHX2 P34913 2/20 0.33
RXRA P19793 3/20 0.33
HNF4A P41235 1/20 0.33
GRM1 Q13255 2/20 0.32
GRIK1 P39086 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
HSD11B1 P28845 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK1 P28482 1/20 0.31
MAP2K4 P45985 1/20 0.31

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
SCHEMBL362281 0.94 GPBAR1 (0.48) GPBAR1BCL2L1BADBRD4EPHX2
SCHEMBL364353 0.92 GPBAR1 (0.47) GPBAR1BCL2L1BADBRD4EPHX2
SCHEMBL363178 0.89 GPBAR1 (0.51) GPBAR1BRD4RXRAGRM1MEN1
SCHEMBL363976 0.89 GPBAR1 (0.41) GPBAR1BRD4EPHX2MEN1KMT2A
SCHEMBL362457 0.88 GPBAR1 (0.48) GPBAR1BRD4RXRAMAPK1MAP2K4
SCHEMBL364601 0.88 GPBAR1 (0.66) GPBAR1BRD4RXRAGRIK1GRIK2
SCHEMBL362545 0.88 GPBAR1 (0.66) GPBAR1BRD4RXRAGRIK1GRIK2
SCHEMBL363349 0.88 GPBAR1 (0.66) GPBAR1BRD4RXRAGRIK1GRIK2
SCHEMBL364467 0.88 GPBAR1 (0.39) GPBAR1EPHX2MEN1CYP1A2KMT2A
SCHEMBL363176 0.88 GPBAR1 (0.39) GPBAR1EPHX2MEN1CYP1A2KMT2A

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed