SCHEMBL7844737

SCHEMBL7844737

C#CC(C)(C)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NS(=O)(=O)c1ccc(Br)cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTPA P49638 4/20 0.39
PSEN1 P49768 6/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
ACHE P22303 4/20 0.33
BCHE P06276 3/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL7844906 0.93 TTPA (0.40) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7837725 0.86 TTPA (0.43) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7835312 0.84 TTPA (0.55) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7846017 0.84 TTPA (0.40) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7836923 0.83 PTGS1 (0.55) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7834899 0.82 TTPA (0.44) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7834472 0.81 TTPA (0.45) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7839838 0.78 TTPA (0.44) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL8520297 0.78 PTGS1 (0.57) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL7836663 0.78 TTPA (0.53) TTPAPSEN1PTGS1PTGS2CYP1A2

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