SCHEMBL6856938

SCHEMBL6856938

Bc1ccc2nc(-c3cccc(OC)c3)c(CC(=O)O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.41
RECQL P46063 1/20 0.41
ADORA2A P29274 1/20 0.41
GRK6 P43250 1/20 0.41
LTB4R Q15722 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6857161 0.86 AVPR1B (0.43) NAMPT
SCHEMBL6856940 0.84 RXRA (0.41) PTGDR2RXRARXRBCSNK2A2CSNK2B
SCHEMBL6856287 0.82 CSNK2A2 (0.43) VDRPPARDRXRARXRBCSNK2A2
SCHEMBL4052652 0.76 PTGDR2 (0.47) PTGDR2VDRPPARDRXRARXRB
SCHEMBL4166291 0.73 KCNA5 (0.59) PTGDR2VDRPPARDRXRARXRB
SCHEMBL6856805 0.73 AVPR1B (0.45) CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL3384876 0.73 KDM4E (0.53) PTGDR2ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL24744927 0.71 KDM4E (0.58) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6857383 0.70 AVPR1B (0.42)
SCHEMBL10509302 0.70 KDM4E (0.65) PTGDR2ALDH1A1HPGDKDM4E

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-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed