SCHEMBL6598501

SCHEMBL6598501

CCOC(=O)CCCOc1ccc2c(c1)c(C(=O)O)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.38
S1PR1 P21453 6/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
S1PR3 Q99500 1/20 0.35
ENPP2 Q13822 5/20 0.34
FFAR1 O14842 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
SCHEMBL6599513 0.90 S1PR1 (0.35) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6598919 0.90 S1PR1 (0.36) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6598918 0.90 S1PR1 (0.36) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6597512 0.88 PLA2G2A (0.37) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6601202 0.87 S1PR1 (0.39) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6603373 0.85 PPARD (0.44) PLA2G2A
SCHEMBL6598794 0.83 PLA2G2A (0.47) PLA2G2AS1PR1THRATHRBS1PR3
SCHEMBL6597517 0.82 PLA2G2A (0.47) PLA2G2A
SCHEMBL6599833 0.82 PLA2G2A (0.47) PLA2G2AS1PR1THRATHRB
SCHEMBL5811105 0.80 POLB (0.35) PLA2G2ATHRATHRB

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 5 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-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