SCHEMBL6597755

SCHEMBL6597755

COc1ccc(OC(C)C(=O)O)c(COc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.35
ADAM17 P78536 2/20 0.35
APP P05067 1/20 0.34
S1PR1 P21453 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 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
SCHEMBL7477783 0.87 SHMT2 (0.34) KDM4EALDH1A1HPGDPPARDPPARA
SCHEMBL6598704 0.87 SHMT2 (0.34) KDM4EALDH1A1HPGDPPARDPPARA
SCHEMBL6597022 0.87 SHMT2 (0.34) KDM4EALDH1A1HPGDPPARDPPARA
SCHEMBL8314225 0.80 SLC26A4 (0.38) NPC1RAB9APPARDPPARAKMT2A
SCHEMBL6598955 0.80 MAOA (0.36) PPARDPPARAKMT2AAPPS1PR1
SCHEMBL6599179 0.80 PPARA (0.41) PPARDPPARAPPARGKMT2AS1PR1
SCHEMBL6599848 0.79 F2RL3 (0.34) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL7475437 0.79 MAPT (0.33) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL8310999 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL6599901 0.78 S1PR1 (0.39) PPARDPPARAPPARGS1PR1

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 6 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
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed