SCHEMBL20795016

SCHEMBL20795016

COCc1ccc(C(C)(C)c2cccc(COC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAOB P27338 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.37
AR P10275 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL20999089 0.93 ESR1 (0.47) ESR1ESR2IDO1MAOBFFAR1
SCHEMBL8750427 0.85 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4NPC1
SCHEMBL10601214 0.85 ESR1 (0.48) ESR1ESR2IDO1ALDH1A1CYP3A4
SCHEMBL350082 0.82 IDO1 (0.46) IDO1MAOB
SCHEMBL19425945 0.79 IDO1 (0.45) ESR1ESR2IDO1MAOBFFAR1
SCHEMBL26245888 0.79 CYP4F2 (0.46) IDO1MAOBFFAR1PDK2NR4A2
SCHEMBL8750507 0.79 TSHR (0.50) ESR1ESR2IDO1ALDH1A1CYP3A4
SCHEMBL17429497 0.78 AGXT (0.47) ESR1ESR2IDO1ALDH1A1CYP3A4
SCHEMBL171782 0.77 IDO1 (0.68) IDO1MAOBSLC6A4LMNANR4A2
SCHEMBL18984736 0.77 APP (0.42) ESR1ESR2IDO1ALDH1A1CYP3A4

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-20190270844-A1 HOMOGENEOUS AMORPHOUS HIGH HEAT EPOXY BLEND COMPOSITE COMPOSITIONS, ARTICLES, AND USES THEREOF SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-09-05 US disclosed
US-10224562-B2 Method for producing polymer electrolyte molded article, polymer electrolyte material, polymer electrolyte membrane, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2019-03-05 US disclosed