SCHEMBL8733284

SCHEMBL8733284

[CH]CCc1ccccc1C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
CDC25B P30305 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8733285 0.86 TSHR (0.69) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL578128 0.84 TSHR (0.77) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL23183168 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL5540432 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
Bicarbonate SCHEMBL27963013 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL16672495 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL1791133 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL4257846 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL6600799 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL13377440 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed