SCHEMBL6009308

SCHEMBL6009308

CC(=O)OCCc1nccs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PKM P14618 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
FDPS P14324 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ACACB O00763 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL14969501 0.83 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1HTTMAPT
SCHEMBL8316849 0.82 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1HTTMAPT
SCHEMBL3952729 0.82 ALDH1A1 (0.37) ALDH1A1PKML3MBTL1HTTMAPT
SCHEMBL4574427 0.77 ALDH1A1 (0.47) ALDH1A1PKMHTTTSHRFDPS
SCHEMBL28853085 0.76 TDP1 (0.51) ALDH1A1PKML3MBTL1LMNARAB9A
SCHEMBL1276911 0.76
SCHEMBL5900543 0.75 ALDH1A1 (0.49) ALDH1A1PKML3MBTL1HTTMAPT
SCHEMBL13739398 0.74 RBBP9 (0.48) ALDH1A1PKMHTTTSHRSMN1; SMN2
SCHEMBL291399 0.74 ALDH1A1 (0.44) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL4759129 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108659974-A A kind of bathroom peculiar-smell-removal detergent of -5- of methyl containing 4- Acetoxyethyls-thiazole 枣庄九星生物科技有限公司 2018-10-16 CN disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
CN-105713015-B A kind of imidazoheterocycles azo derivative and its preparation method and application 华南农业大学 2018-07-06 CN disclosed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
CN-105713015-A Imidazo heterocyclic azo derivative and preparation method and application thereof 华南农业大学 2016-06-29 CN disclosed
CN-102613526-B Blended-type roast chicken flavor essence and preparation method thereof TIANJIN CHUNYU FOOD INGREDIENTS CO LTD 2014-05-28 CN disclosed
CN-102613526-A Blended-type roast chicken flavor essence and preparation method thereof TIANJIN CHUNYU FOOD INGREDIENTS CO LTD 2012-08-01 CN disclosed
EP-1368029-A4 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS LLC (US) 2006-02-15 EP disclosed
EP-1368029-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS Farrington Pharmaceuticals, LLC (US) 2003-12-10 EP disclosed
WO-2002062301-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS, LLC (US) 2002-08-15 WO disclosed