SCHEMBL8569877

SCHEMBL8569877

O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.78
RARB P10826 5/20 0.73
MAPK1 P28482 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
PLA2G4B P0C869 2/20 0.61
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
SRD5A2 P31213 1/20 0.58
HTT P42858 1/20 0.57
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
PARP10 Q53GL7 1/20 0.56

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
SCHEMBL196110 0.94 PKM (0.88) PKMRARBMAPK1TSHRTP53
SCHEMBL8429336 0.92 RARB (0.68) PKMRARBMAPK1TSHRTP53
SCHEMBL13861910 0.91 RARB (0.68) PKMRARBMAPK1TSHRTP53
SCHEMBL7336812 0.89 RARB (0.90) PKMRARBTSHRTP53PLA2G4B
SCHEMBL7315727 0.89 PKM (0.79) PKMRARBTSHRTP53PLA2G4B
SCHEMBL7595951 0.89 RARB (0.69) PKMRARBMAPK1TSHRTP53
SCHEMBL8086185 0.89 PKM (0.79) PKMRARBMAPK1TSHRTP53
SCHEMBL4060096 0.89 RARB (0.79) PKMRARBMAPK1TSHRTP53
SCHEMBL8081583 0.89 RARB (0.90) PKMRARBTSHRTP53PLA2G4B
SCHEMBL4509186 0.88 PKM (0.78) PKMRARBMAPK1TSHRTP53

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
US-5866672-A HALOGEN FLAME RETARDANT, EPOXY COMPOUNDS OR CARBODIIMIDE COMPOUNDS AND AN ANTIMONY COMPOUND KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed