SCHEMBL6601202

SCHEMBL6601202

CCOC(=O)CCCOc1ccc2c(ccn2Cc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR3 Q99500 1/20 0.37
FFAR1 O14842 1/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
BCL2 P10415 2/20 0.34
MCL1 Q07820 2/20 0.34
PPARD Q03181 4/20 0.34
PLA2G2A P14555 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL8664601 0.91 THRA (0.42) S1PR1THRATHRBS1PR3BCL2
SCHEMBL6598501 0.87 PLA2G2A (0.38) S1PR1THRATHRBS1PR3FFAR1
SCHEMBL6599513 0.86 S1PR1 (0.35) S1PR1THRATHRBS1PR3FFAR1
SCHEMBL6598918 0.86 S1PR1 (0.36) S1PR1THRATHRBS1PR3FFAR1
SCHEMBL6598919 0.86 S1PR1 (0.36) S1PR1THRATHRBS1PR3FFAR1
SCHEMBL6599645 0.85 ACHE (0.35) S1PR1PPARGPPARA
SCHEMBL6597512 0.84 PLA2G2A (0.37) S1PR1THRATHRBS1PR3FFAR1
SCHEMBL6597517 0.81 PLA2G2A (0.47) PLA2G2A
SCHEMBL6603352 0.79 PTPN1 (0.38) S1PR1PPARAPDE3BPDE3AP2RY12
SCHEMBL6598888 0.79 S1PR1 (0.38) S1PR1FFAR1PPARGPPARAPDE3B

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