SCHEMBL17456366

SCHEMBL17456366

CC(C)(c1ccc(O)c(F)c1)c1ccc(O)c(F)c1.Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.77
ESR2 Q92731 8/20 0.50
AR P10275 4/20 0.50
KLF10 Q13118 1/20 0.47
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
RORC P51449 1/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ESRRG P62508 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL544510 0.92 ESR1 (0.61) ESR1ESR2ARKLF10ALOX15
SCHEMBL29372911 0.92 ESR1 (0.61) ESR1ESR2ARKLF10ALOX15
SCHEMBL13416167 0.92 ESR1 (0.65) ESR1ESR2ARKLF10ALOX15
SCHEMBL4462227 0.90 ESR1 (0.59) ESR1ESR2ARKLF10ALOX15
SCHEMBL29360146 0.88 ESR1 (1.00) ESR1ESR2ARKLF10ALOX15
SCHEMBL35285 0.88 ESR1 (1.00) ESR1ESR2ARKLF10ALOX15
SCHEMBL29350788 0.88 ESR1 (1.00) ESR1ESR2ARKLF10ALOX15
SCHEMBL12299313 0.87 ESR1 (0.59) ESR1ESR2ARKLF10ALOX15
SCHEMBL29696084 0.86 ESR1 (0.95) ESR1ESR2ARKLF10ALOX15
SCHEMBL298974 0.86 ESR1 (0.95) ESR1ESR2ARKLF10ALOX15

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-20160024300-A1 POLYMERS AND POLYMER BLENDS WITH ENHANCED GLOSS LEVEL COVESTRO LLC 2016-01-28 US disclosed