SCHEMBL6954162

SCHEMBL6954162

Cc1ccc(S(=O)(=O)OCCc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
SLC16A3 O15427 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4463941 0.83 LMNA (0.41) TSHRALDH1A1LMNAPOLBHSP90AA1
SCHEMBL3103834 0.80 STAT3 (0.48) STAT3ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL30844048 0.78 MAPT (0.44) STAT3TSHRALDH1A1
SCHEMBL6965004 0.78 MMP1 (0.47) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL26079065 0.78 RORC (0.42) STAT3TSHRALDH1A1KMT2ALMNA
SCHEMBL6489184 0.78 KDM4E (0.40) STAT3TSHRALDH1A1SMN1; SMN2GPR139
SCHEMBL29030128 0.77 KMT2A (0.42) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL17023780 0.77 CYP3A4 (0.40) STAT3ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL791306 0.76 CA2 (0.56) STAT3TSHRALDH1A1KMT2AMEN1
SCHEMBL11395491 0.76 ALDH1A1 (0.34) STAT3TSHRALDH1A1KMT2ASMN1; SMN2

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