SCHEMBL6599097

SCHEMBL6599097

CCCC(Oc1ccccc1COc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1)C(N)=NO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
PARP14 Q460N5 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL6598187 0.91 S1PR1 (0.36) S1PR1PARP14PARP10
SCHEMBL6599179 0.89 PPARA (0.41) S1PR1PARP14PARP10
SCHEMBL6599721 0.84 S1PR1 (0.35) S1PR1
SCHEMBL6599244 0.83 S1PR1 (0.35) S1PR1
SCHEMBL7478659 0.83 PARP10 (0.33) PARP14PARP10
SCHEMBL6598991 0.81 S1PR1 (0.30) S1PR1
SCHEMBL6600275 0.80 PARP10 (0.37) S1PR1PARP14PARP10
SCHEMBL6600610 0.79 S1PR1 (0.31) S1PR1
SCHEMBL6598955 0.77 MAOA (0.36) S1PR1PARP14PARP10
SCHEMBL6599597 0.76 F2RL3 (0.33) S1PR1

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
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