SCHEMBL8544247

SCHEMBL8544247

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)N1CCC(C(OC(C)=O)(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.41
ALOX5 P09917 2/20 0.41
PSEN1 P49768 9/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE3A Q14432 1/20 0.37
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.35
NPY2R P49146 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
SCHEMBL8541029 0.92 TTPA (0.42) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8539156 0.83 NPY2R (0.43) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8537141 0.83 TTPA (0.43) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8543302 0.82 TTPA (0.45) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9257743 0.79 TTPA (0.40) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8540281 0.78 TTPA (0.46) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8539159 0.77 TTPA (0.49) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8542195 0.76 TTPA (0.42) TTPAALOX5MEN1KMT2ACYP3A4
SCHEMBL8538821 0.75 CACNA2D1 (0.41) TTPAALOX5MEN1KMT2ACYP3A4
SCHEMBL8542945 0.75 TTPA (0.44) TTPAALOX5PSEN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed
US-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed
EP-0587499-A1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR ET COMPAGNIE (FR) 1994-03-16 EP disclosed