SCHEMBL6966988

SCHEMBL6966988

Cc1ccc(S(=O)(=O)OCCc2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
STAT5B P51692 1/20 0.40
BRD4 O60885 1/20 0.39
CA2 P00918 1/20 0.35
PAX8 Q06710 1/20 0.34
PTGER1 P34995 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6960268 0.94 F2 (0.41) F2STAT5BBRD4CA2PAX8
SCHEMBL6960483 0.82 CNR2 (0.43) CA2ALDH1A1MAPK1
SCHEMBL30830665 0.81 PSMD10 (0.39) F2STAT5BPAX8MEN1KMT2A
SCHEMBL31618103 0.79 CA9 (0.43) CA2ALDH1A1
SCHEMBL2879956 0.78 STAT5B (0.38) F2STAT5BCA2MEN1KMT2A
SCHEMBL30844048 0.78 MAPT (0.44) CA2ALDH1A1
SCHEMBL18289526 0.78 CYP19A1 (0.50) CA2MEN1KMT2A
SCHEMBL15656810 0.76 ACHE (0.52) BRD4PAX8
SCHEMBL27542210 0.76 BRD4 (0.46) BRD4PAX8MEN1KMT2A
SCHEMBL6961246 0.75 CNR2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562808-B1 Calcium channel antagonists effective in treating intestinal diseases caused by abnormal acceleration of the contraction of intestinal tracts such as irritable bowel syndrome, without significant cardiac effects AJINOMOTO CO., INC. (JP) 2003-05-13 US disclosed
EP-1020466-B1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME AJINOMOTO KK (JP) 2003-02-19 EP disclosed
CN-1278816-A 5, 11-dihydrodibenzo [ b, e ] [1,4] oxazepine * derivatives and pharmaceutical compositions containing the same AJINOMOTO KK (JP) 2001-01-03 CN disclosed
EP-1020466-A1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2000-07-19 EP disclosed