SCHEMBL6599461

SCHEMBL6599461

CCOC(=O)CCc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
ACHE P22303 2/20 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
SCHEMBL8310165 0.87 FFAR1 (0.56) FFAR1KMT2AMEN1CYP26A1CYP26B1
SCHEMBL8311230 0.84 CA12 (0.37) FFAR1KMT2AMEN1CA12CA2
SCHEMBL6598966 0.83 ALDH1A1 (0.43) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6599645 0.83 ACHE (0.35) ACHE
SCHEMBL8314166 0.83 CA12 (0.41) FFAR1KMT2AMEN1CA12CA2
SCHEMBL6599628 0.81 RAB9A (0.42) KMT2AMEN1CA12CA2CA3
SCHEMBL6599311 0.80 ALOX5 (0.48) FFAR1PDE3BPDE3AP2RY12KMT2A
SCHEMBL8310276 0.80 CHRM2 (0.41) FFAR1KMT2AMEN1CA12CA2
SCHEMBL6601202 0.79 S1PR1 (0.39) FFAR1PDE3BPDE3AP2RY12
SCHEMBL8311225 0.79 CYP26A1 (0.42) FFAR1KMT2AMEN1CYP26A1CYP26B1

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