SCHEMBL8419339

SCHEMBL8419339

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NS(=O)(=O)c1ccccc1)O2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 4/20 0.54
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PSEN1 P49768 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
BCHE P06276 7/20 0.40
ACHE P22303 7/20 0.40

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
SCHEMBL7825046 0.92 TTPA (0.56) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7835832 0.91 TTPA (0.51) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7835312 0.90 TTPA (0.55) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7836231 0.90 TTPA (0.55) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7825923 0.90 TTPA (0.55) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7836352 0.89 TTPA (0.56) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7836851 0.89 TTPA (0.51) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7836807 0.89 TTPA (0.53) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7833220 0.89 TTPA (0.53) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7835707 0.89 TTPA (0.53) TTPAALOX5PTGS1PTGS2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889045-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
CN-1183412-A New benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-06-03 CN disclosed