SCHEMBL17286709

SCHEMBL17286709

Cc1cc(C(C)(O)C(F)(F)F)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD11B1 P28845 10/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
ALOX5 P09917 1/20 0.34
AR P10275 1/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17286705 0.83 HSD11B1 (0.42) ESR1ESR2HSD11B1CYP1A2CYP2C9
SCHEMBL1816541 0.80 POLB (0.52) HSD11B1AR
SCHEMBL11126670 0.79 ESR1 (0.46) ESR1ESR2CA1CA2PTGS1
SCHEMBL3682450 0.79 ESR1 (0.46) ESR1ESR2CA1CA2CYP1A2
SCHEMBL12126413 0.79 PGK1 (0.42) CA2HSD11B1AR
SCHEMBL17286683 0.77 ESR1 (0.61) ESR1ESR2HSD11B1AR
SCHEMBL15957668 0.77 AR (0.42) HSD11B1CYP2C9ARMEN1KMT2A
SCHEMBL17286718 0.77 HSD11B1 (0.42) HSD11B1CYP2C9AR
SCHEMBL247818 0.76 ESR1 (0.48) ESR1ESR2CA1CA2CYP1A2
SCHEMBL5355232 0.76 ESR1 (0.48) ESR1ESR2CA1CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464163-B2 Novolak resin containing hexafluoroisopropanol group, method for producing same, and composition of same CENTRAL GLASS COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20150337077-A1 Novolak Resin Containing Hexafluoroisopropanol Group, Method for Producing Same, and Composition of Same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-11-26 US disclosed