SCHEMBL6973780

SCHEMBL6973780

NCCCNCCCCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.59
CA6 P23280 4/20 0.59
CA7 P43166 4/20 0.59
CA9 Q16790 4/20 0.59
CA14 Q9ULX7 4/20 0.59
CA5B Q9Y2D0 4/20 0.59
CA2 P00918 3/20 0.59
CA4 P22748 3/20 0.59
CA5A P35218 3/20 0.59
F13A1 P00488 2/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX15 P16050 2/20 0.59
THPO P40225 2/20 0.59
CASP2 P42575 2/20 0.59
MEN1 O00255 2/20 0.59
RECQL P46063 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CA3 P07451 2/20 0.56

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
SCHEMBL6975103 0.95 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL6968183 0.93 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL6969151 0.93 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL6975149 0.91 SIGMAR1 (0.63) CA12CA6CA7CA9CA14
SCHEMBL6971233 0.91 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL6976520 0.90 SIGMAR1 (0.67) CA12CA6CA7CA9CA14
SCHEMBL11597594 0.88 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL6963748 0.87 SIGMAR1 (0.69) CA12CA6CA7CA9CA14
SCHEMBL6968473 0.86 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL6975735 0.85 SIGMAR1 (0.73) CA12CA6CA7CA9CA14

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed