SCHEMBL27686802

SCHEMBL27686802

CCOC(=O)c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
SCN1A P35498 3/20 0.62
SCN2A Q99250 3/20 0.62
SCN3A Q9NY46 3/20 0.62
LMNA P02545 2/20 0.57
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
SLC6A3 Q01959 3/20 0.54
ERN1 O75460 1/20 0.52
PTPRC P08575 1/20 0.52
PTPRF P10586 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPA Q15257 1/20 0.52
SLC6A4 P31645 2/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALOX15 P16050 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL396552 0.97 TSHR (0.69) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL1665510 0.95 TSHR (0.61) TSHRSCN1ASCN2ASCN3ALMNA
Bicarbonate SCHEMBL27449726 0.95 TSHR (0.67) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL3230316 0.90 TSHR (0.65) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL29500171 0.90 TSHR (0.65) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL27686775 0.89 TSHR (0.59) TSHRSCN1ASCN2ASCN3ALMNA
Bicarbonate SCHEMBL5706047 0.89 TSHR (0.62) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL8606461 0.89 TSHR (0.62) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL10476975 0.87 TSHR (0.61) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL8873262 0.87 TSHR (0.61) TSHRSCN1ASCN2ASCN3ALMNA

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
CN-101087752-B Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV 2011-11-16 CN disclosed
CN-101087752-A Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV (FR) 2007-12-12 CN disclosed