SCHEMBL29196855

SCHEMBL29196855

Cc1ccc(O)c(CCc2c(O)ccc(C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.39
ESR2 Q92731 7/20 0.39
AR P10275 3/20 0.39
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL550887 0.88 ESR1 (0.38) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL27515342 0.86 ESR1 (0.38) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL27905066 0.78 ESR1 (0.43) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL29359879 0.78 ESR1 (0.43) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL36472 0.78 ESR1 (0.43) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL4580621 0.77 HSPA5 (0.47) ESR1ESR2ALDH1A1HSD17B10TDP1
SCHEMBL8890931 0.76 ESR1 (0.41) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL30438308 0.76 TRPA1 (0.46) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL2051069 0.76 TRPA1 (0.46) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL1053673 0.76 ESR1 (0.41) ESR1ESR2ARALDH1A1ALOX15

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
CN-117584584-A Full polyethylene type composite film and preparation method thereof 惠州市道科包装材料有限公司 2024-02-23 CN disclosed