SCHEMBL6599645

SCHEMBL6599645

CCOC(=O)CCCCc1ccc2ccn(Cc3ccc4oc(-c5nc(C(C)(C)C)cs5)cc4c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
P2RX3 P56373 2/20 0.34
S1PR1 P21453 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TNF P01375 3/20 0.32
EP300 Q09472 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL6601202 0.85 S1PR1 (0.39) S1PR1PPARGPPARA
SCHEMBL6599461 0.83 FFAR1 (0.41) ACHE
SCHEMBL6598947 0.81 ALDH1A1 (0.42) HDAC8EPHX2NR1H4
SCHEMBL6598501 0.77 PLA2G2A (0.38) S1PR1
SCHEMBL6597512 0.77 PLA2G2A (0.37) S1PR1PPARGPPARA
SCHEMBL6599513 0.77 S1PR1 (0.35) P2RX3S1PR1
SCHEMBL8664601 0.76 THRA (0.42) S1PR1
SCHEMBL5811105 0.76 POLB (0.35) HDAC8
SCHEMBL6598919 0.75 S1PR1 (0.36) S1PR1
SCHEMBL6598918 0.75 S1PR1 (0.36) 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 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