SCHEMBL7846017

SCHEMBL7846017

CC#COc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NS(=O)(=O)c1ccc(Br)cc1)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTPA P49638 4/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PSEN1 P49768 7/20 0.38
EGFR P00533 3/20 0.35
ERBB2 P04626 3/20 0.35
MMP1 P03956 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALOX5 P09917 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
SCHEMBL7834764 0.93 TTPA (0.41) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7837725 0.88 TTPA (0.43) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7835312 0.86 TTPA (0.55) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7836923 0.85 PTGS1 (0.55) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7844737 0.84 TTPA (0.39) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7834899 0.84 TTPA (0.44) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7834472 0.82 TTPA (0.45) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7839838 0.80 TTPA (0.44) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7825046 0.78 TTPA (0.56) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7836352 0.78 TTPA (0.56) TTPAPTGS1PTGS2CYP1A2CYP3A4

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