SCHEMBL5540486

SCHEMBL5540486

CC(OC(=O)/C=C\C(=O)OC(C)N(C)C)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL3134060 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2CHRNB2CHRNA4
SCHEMBL11677738 0.91 HCAR2 (0.63) HCAR2KEAP1NFE2L2TSHR
SCHEMBL3134084 0.91 HCAR2 (0.63) HCAR2KEAP1NFE2L2TSHR
SCHEMBL28123084 0.91 HCAR2 (0.63) HCAR2KEAP1NFE2L2TSHR
SCHEMBL11684428 0.89 HCAR2 (0.39) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL640397 0.89 HCAR2 (0.39) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15114 0.81 TSHR (0.43) HCAR2TSHR
Hydrochloric Acid SCHEMBL130713 0.79 TSHR (0.42) HCAR2TSHR
Iodide SCHEMBL1302189 0.79 TSHR (0.42) HCAR2TSHR
Fluoride SCHEMBL1303032 0.79 TSHR (0.42) HCAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105340034-A Electrolysis solution for electrolytic capacitor, and electrolytic capacitor CARLIT HOLDINGS CO LTD 2016-02-17 CN disclosed
EP-1848412-A2 TRANSDERMAL SYSTEMS HAVING CONTROL DELIVERY SYSTEM MYLAN TECHNOLOGIES, INC. (US) 2007-10-31 EP disclosed
WO-2006091442-A2 TRANSDERMAL SYSTEMS HAVING CONTROL DELIVERY SYSTEM MYLAN TECHNOLOGIES, INC. (US) 2006-08-31 WO disclosed
EP-1148106-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LTD (JP) 2004-11-24 EP disclosed
US-6797280-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LIMITED (JP) 2004-09-28 US disclosed
EP-1148106-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LIMITED (JP) 2001-10-24 EP disclosed