SCHEMBL19649946

SCHEMBL19649946

CC(C)CC(C)(c1ccc(O)cc1)c1ccc(N=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.42
ESR2 Q92731 11/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ESRRG P62508 2/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SHBG P04278 1/20 0.37
MIF P14174 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 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
SCHEMBL52004 0.86 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL8374002 0.81 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL22193637 0.77 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL8767918 0.77 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL24585316 0.77 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL8761434 0.75 ESR2 (0.48) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL16609100 0.75 ESR1 (0.47) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL8761103 0.74 KDM4E (0.40) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL13184033 0.74 ESR1 (0.40) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL8760897 0.73 SLC6A2 (0.44) ESR1ESR2CYP3A4ALDH1A1ESRRG

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
EP-3249471-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS Canon Kabushiki Kaisha (JP) 2017-11-29 EP disclosed