SCHEMBL11409016

SCHEMBL11409016

COC(=O)c1cc(=O)c2c(OC)ccc(OC)c2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
GLA P06280 2/20 0.66
CYP19A1 P11511 1/20 0.49
NQO2 P16083 1/20 0.49
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
XDH P47989 1/20 0.41
NGFR P08138 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLF5 Q13887 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL51079 0.90 GAA (0.61) GAAGLACYP19A1NQO2CYP1A2
SCHEMBL51080 0.88 GLA (0.59) GAAGLACYP19A1NQO2CYP1A2
SCHEMBL11107211 0.84 GLA (0.52) GAAGLACYP19A1NQO2CYP1A2
SCHEMBL644452 0.80 KDM4E (0.73) GAAGLACYP1A2KDM4EHPGD
SCHEMBL2476568 0.76 GLA (0.52) GAAGLAKDM4EHPGDMAPT
SCHEMBL8319614 0.76 GAA (0.62) GAAGLACYP19A1NQO2CYP1A2
SCHEMBL8324363 0.75 GAA (0.60) GAAGLACYP1A2KDM4EHPGD
SCHEMBL11807432 0.74 GLA (0.68) GAAGLACYP1A2KDM4EHPGD
SCHEMBL11713151 0.74 NGFR (0.51) GAAGLACYP1A2KDM4EHPGD
SCHEMBL5355599 0.74 GLA (0.68) GAAGLAKDM4EHPGDMAPT

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
JP-55151511-A None JP disclosed
JP-S55151511-A ANTIALLERGIC AGENT CONSISTING MAINLY OF KYNURENIC ESTER DERIVATIVE SANKYO CO LTD 1980-11-26 JP disclosed