SCHEMBL15085253

SCHEMBL15085253

CCC(c1ccc(O)c(C)c1)c1ccc(C)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.40
ESR2 Q92731 8/20 0.40
AR P10275 4/20 0.40
BCHE P06276 2/20 0.39
TYR P14679 2/20 0.39
ACHE P22303 2/20 0.39
CYP17A1 P05093 2/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL529617 0.88 ESR1 (0.48) ESR1ESR2ARBCHETYR
SCHEMBL29459520 0.88 ESR1 (0.48) ESR1ESR2ARBCHETYR
SCHEMBL28386626 0.81 HKDC1 (0.46) ESR1ESR2ARBCHETYR
SCHEMBL17716505 0.81 BCHE (0.45) ESR1ESR2ARBCHETYR
SCHEMBL3286323 0.81 ESR1 (0.50) ESR1ESR2ARBCHETYR
Phenol SCHEMBL9004029 0.80 ESR1 (0.45) ESR1ESR2ARBCHETYR
SCHEMBL31712306 0.80 ESR1 (0.42) ESR1ESR2ARBCHETYR
SCHEMBL31545523 0.77 PTGS1 (0.61) ESR1ARBCHETYRACHE
SCHEMBL11352919 0.75 ESR1 (0.45) ESR1ESR2ARTP53TDP1
SCHEMBL17716496 0.75 BCHE (0.54) ESR1ESR2ARBCHETYR

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-2019338-B1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY, IMAGE FORMING DEVICE, AND ELECTROPHOTOGRAPHIC CARTRIDGE MITSUBISHI CHEM CORP (JP) 2013-07-03 EP disclosed