SCHEMBL6932477

SCHEMBL6932477

CCC(=O)N(C)c1ccc(C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 4/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL23063887 0.95 NOTUM (0.55) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL13645980 0.88 NOTUM (0.61) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL14175173 0.86 CA12 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1MAPK1
SCHEMBL2636334 0.85 NOTUM (0.58) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL1244024 0.85 NOTUM (0.62) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL7140538 0.85 NOTUM (0.58) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL7137753 0.83 NOTUM (0.56) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL21765854 0.83 KMT2A (0.43) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL9096918 0.80 NOTUM (0.65) NOTUMALDH1A1HPGDKDM4ETSHR
SCHEMBL19531787 0.79 PLK1 (0.53) ALDH1A1HPGDTSHRSMN1; SMN2GAA

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
EP-0846681-B1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO (JP) 2003-12-03 EP disclosed
US-6093753-A CURABLE COMPOSITION COMPRISING A CATIONIC POLYMERIZABLE COMPOUND WHICH IS AN ALICYCLIC EPOXY COMPOUND OR A VINYL ETHER COMPOUND AND A CATIONIC POLYMERIZATION INITIATOR; PAINTS, ADHESIVES, INKS, PHOTORESISTS NIPPON SODA CO., LTD. (JP) 2000-07-25 US disclosed
EP-0846681-A1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO., LTD. (JP) 1998-06-10 EP disclosed