SCHEMBL17286705

SCHEMBL17286705

CCc1cc(C(C)(O)C(F)(F)F)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTPN5 P54829 1/20 0.35
PGR P06401 1/20 0.33
SHBG P04278 1/20 0.33

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
SCHEMBL17286709 0.83 ESR1 (0.45) HSD11B1ESR1ESR2CYP1A2CYP2C9
SCHEMBL10046766 0.80 CYP2C19 (0.51) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL31603748 0.80 CYP2C19 (0.51) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL10685591 0.80 ALOX15 (0.50) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL30688233 0.80 ALOX15 (0.50) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL17286706 0.79 HSD11B1 (0.40) HSD11B1CYP2C9CYP2C19PGR
SCHEMBL9863223 0.74 ALOX15 (0.53) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL10046743 0.74 CYP2C19 (0.49) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL17269273 0.74 CYP3A4 (0.46) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL20958248 0.72 GABRA1 (0.46) HSD11B1ESR1ESR2CYP1A2CYP2C9

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