SCHEMBL7841706

SCHEMBL7841706

Cc1c(C)c2c(c(C)c1OCc1ccc3ccccc3n1)CCC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PSEN1 P49768 3/20 0.40
BCHE P06276 12/20 0.39
ACHE P22303 12/20 0.39
TTPA P49638 2/20 0.39
ADAMTS4 O75173 1/20 0.39

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
SCHEMBL7842573 0.93 BCHE (0.44) PSEN1BCHEACHETTPA
SCHEMBL7841656 0.92 CYSLTR2 (0.41) CYSLTR2CYSLTR1PSEN1BCHEACHE
SCHEMBL7847524 0.89 BCHE (0.42) PSEN1BCHEACHETTPA
SCHEMBL7844524 0.88 PSEN1 (0.44) CYSLTR2CYSLTR1PSEN1BCHEACHE
SCHEMBL8421050 0.82 PSEN1 (0.58) CYSLTR2CYSLTR1PSEN1BCHEACHE
SCHEMBL7825923 0.79 TTPA (0.55) PSEN1BCHEACHETTPA
SCHEMBL7838231 0.77 PTGS1 (0.55) BCHEACHETTPA
SCHEMBL7836851 0.74 TTPA (0.51) PSEN1BCHEACHETTPA
SCHEMBL4469890 0.74 CYSLTR1 (0.42) CYSLTR2CYSLTR1PSEN1
SCHEMBL8419339 0.73 TTPA (0.54) PSEN1BCHEACHETTPA

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-0844245-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-05-09 EP disclosed
US-5889045-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
EP-0844245-A1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-27 EP disclosed