SCHEMBL9526576

SCHEMBL9526576

Clc1cccc2c1OC(COCc1ccccc1)C(COCc1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR1A P08908 1/20 0.33
GRM5 P41594 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
AKT1 P31749 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
SCHEMBL9526572 1.00 TSHR (0.39) TSHRLMNAAHRTAAR1L3MBTL1
SCHEMBL10980854 0.83 TSHR (0.52) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL10978067 0.83 TSHR (0.52) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL10978073 0.83 TSHR (0.52) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL10980851 0.83 TSHR (0.52) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL9570489 0.83 LMNA (0.42) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL9525618 0.83 LMNA (0.42) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL9525628 0.83 LMNA (0.42) TSHRLMNATAAR1L3MBTL1SLC6A2
SCHEMBL10377076 0.80 ALDH1A1 (0.42) TSHRLMNA
SCHEMBL10377075 0.80 ALDH1A1 (0.42) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359290-B1 AROMATIC DIOLS GLAXO GROUP LIMITED (GB) 1993-08-04 EP disclosed
EP-0162593-B1 HETEROCYCLIC AMINO COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-16 EP disclosed
EP-0359290-A1 Aromatic diols GLAXO GROUP LIMITED (GB) 1990-03-21 EP disclosed
EP-0162593-A1 Heterocyclic amino compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP disclosed