SCHEMBL5596209

SCHEMBL5596209

CCCCP(c1cc(C)ccc1O)c1cc(C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSNK2A1 P68400 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
NFKB1 P19838 3/20 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
SCHEMBL5596924 0.89 ALOX15 (0.45) ALOX15HSD17B10ALDH1A1TRPA1MAPT
SCHEMBL5596679 0.81 TRPA1 (0.48) ALOX15HSD17B10ALDH1A1TRPA1MAPT
SCHEMBL14265807 0.80 ACHE (0.43) ALOX15HSD17B10ALDH1A1TRPA1MAPT
SCHEMBL5596154 0.78 ALDH1A1 (0.47) ALOX15HSD17B10ALDH1A1MAPTGAA
SCHEMBL17529720 0.78 TLR8 (0.36) ALDH1A1MAPTHTTTP53LMNA
SCHEMBL6438829 0.76 TRPA1 (0.56) ALOX15HSD17B10ALDH1A1TRPA1MAPT
SCHEMBL5596901 0.76 TSHR (0.39) ALOX15HSD17B10ALDH1A1MAPTHTT
SCHEMBL5596042 0.75 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1MAPTHTT
SCHEMBL17529653 0.73 TLR8 (0.36) ALDH1A1MAPTHTTTP53GAA
SCHEMBL17529743 0.71 HTT (0.35) ALDH1A1HTTTP53GAATDP1

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 3 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
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed