SCHEMBL7836766

SCHEMBL7836766

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-])O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.56
THRB P10828 1/20 0.42
ALOX5 P09917 1/20 0.42
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3A Q14432 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7824400 0.88 PTGS1 (0.49) TTPATHRBCA1CA2MMP1
SCHEMBL7835467 0.87 TTPA (0.52) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7824921 0.84 TTPA (0.49) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8419339 0.84 TTPA (0.54) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7825046 0.82 TTPA (0.56) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7836851 0.81 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7836663 0.80 TTPA (0.53) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7835312 0.80 TTPA (0.55) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7825923 0.80 TTPA (0.55) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL7836231 0.80 TTPA (0.55) TTPAALOX5MEN1KMT2APDE4A

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