SCHEMBL9250111

SCHEMBL9250111

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1ccccc1)O2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.51
ALOX5 P09917 2/20 0.50
PSEN1 P49768 9/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.43
PDE3A Q14432 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37

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
SCHEMBL9252607 0.89 TTPA (0.57) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9254423 0.88 TTPA (0.47) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9253856 0.87 TTPA (0.50) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9250956 0.85 PSEN1 (0.52) TTPAALOX5PSEN1PTGS1PTGS2
SCHEMBL9257662 0.84 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9257714 0.84 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9250567 0.83 BCHE (0.44) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9251706 0.83 TTPA (0.45) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9255259 0.83 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9258885 0.83 MEN1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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