SCHEMBL6598583

SCHEMBL6598583

COC(=O)Cc1cn(Cc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c2ccc(OCC3(CC(=O)O)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.38
PPARD Q03181 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
ICMT O60725 5/20 0.33
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
S1PR1 P21453 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL6610414 0.95 PPARD (0.39) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL6598709 0.90 THRA (0.44) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL6598794 0.88 PLA2G2A (0.47) PLA2G2APPARDPPARGPPARATHRA
Acetic Acid SCHEMBL6598580 0.86 S1PR1 (0.40) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL5810585 0.85 PLA2G2A (0.41) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL6601718 0.85 PLA2G2A (0.38) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL5809194 0.84 THRA (0.41) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL8624729 0.84 THRA (0.46) PLA2G2APPARDPPARGPPARATHRA
SCHEMBL6601187 0.84 PLA2G2A (0.49) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL6599665 0.84 PLA2G2A (0.39) PLA2G2APPARDPPARGPPARAICMT

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 3 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