SCHEMBL6598985

SCHEMBL6598985

CC(C)OC(=O)Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.48
MAOB P27338 2/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4A O75164 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41

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
SCHEMBL5164310 0.85 BACE1 (0.54) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL7814604 0.83 BACE1 (0.53) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL5351103 0.82 BACE1 (0.52) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL5163093 0.82 BACE1 (0.52) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL6599999 0.81 TSHR (0.54) TSHRMAPTMAOBL3MBTL1LMNA
SCHEMBL7082719 0.81 BACE1 (0.51) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL14191577 0.80 BACE1 (0.53) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL29901207 0.80 BACE1 (0.53) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL7448632 0.79 MEN1 (0.49) MAPTMAOBBACE1MEN1KMT2A
SCHEMBL7078904 0.78 BACE1 (0.50) MAPTMAOBBACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
CN-1209809-A Noval chemical compound FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-03 CN disclosed
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed