SCHEMBL5596853

SCHEMBL5596853

Cc1ccc(O)c(P(Cc2ccccc2)c2cc(C)ccc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
FTO Q9C0B1 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDH1 O75874 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAOB P27338 1/20 0.37
KCNMA1 Q12791 1/20 0.37
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MIF P14174 1/20 0.37
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5596202 0.79 CYP2D6 (0.47) TDP1IDH1ALOX15ALDH1A1HSD17B10
SCHEMBL17529866 0.79 LMNA (0.37) HTTTDP1ALDH1A1MIFGAA
SCHEMBL5596432 0.78 GAA (0.40) HTTALDH1A1MEN1GAAKMT2A
SCHEMBL5596855 0.77 AKR1B1 (0.39) TDP1IDH1ALOX15ALDH1A1HSD17B10
SCHEMBL5596679 0.76 TRPA1 (0.48) TRPA1FTOHTTTP53TDP1
SCHEMBL5596542 0.73 ALOX15 (0.45) TRPA1FTOHTTTP53TDP1
SCHEMBL7189644 0.73 ALOX15 (0.45) TRPA1FTOHTTTP53TDP1
SCHEMBL5596924 0.73 ALOX15 (0.45) TRPA1HTTTP53TDP1CSNK2A1
SCHEMBL6438829 0.71 TRPA1 (0.56) TRPA1FTOHTTTP53TDP1
SCHEMBL5596355 0.70 TYR (0.36) HTTMAPK1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
EP-1828165-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
WO-2006046735-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 WO disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed