SCHEMBL7938646

SCHEMBL7938646

CC(C)(c1cccc(O)c1)c1ccc(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 4/20 0.41
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALOX12 P18054 1/20 0.38
CYP3A4 P08684 3/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL8987443 0.91 ESR1 (0.50) ESR1ESR2ALDH1A1ALOX15LMNA
SCHEMBL8085234 0.82 ALDH1A1 (0.57) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL9070337 0.82 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL6751257 0.79 ESR1 (0.46) ESR1ESR2ALDH1A1ALOX15LMNA
SCHEMBL1492513 0.79 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL31284901 0.79 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL5052726 0.79 ALDH1A1 (0.50) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL759290 0.78 ESR1 (0.58) ESR1ESR2ALDH1A1ALOX15LMNA
SCHEMBL29375143 0.78 ESR1 (0.58) ESR1ESR2ALDH1A1ALOX15LMNA
SCHEMBL4063769 0.77 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2ALDH1A1

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
JP-3007240-A None JP disclosed
US-6245478-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
JP-H037240-A POLYNUCLEAR PHENOLIC COMPOUND, PREPARATION THEREOF AND POSITIVE TYPE RESIST COMPOSITION USING THE SAME SUMITOMO CHEM CO LTD 1991-01-14 JP disclosed