SCHEMBL9251706

SCHEMBL9251706

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1ccc(Cl)c3ccccc13)O2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.45
ALOX5 P09917 2/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
PSEN1 P49768 4/20 0.38
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 8/20 0.35
ACHE P22303 8/20 0.35

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
SCHEMBL9314090 0.91 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9257226 0.85 PTGS1 (0.46) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9250111 0.83 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9255259 0.82 TTPA (0.48) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9250968 0.82 HTT (0.44) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL9253892 0.80 TTPA (0.50) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9253856 0.80 TTPA (0.50) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9257662 0.80 TTPA (0.48) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9246899 0.79 TTPA (0.43) TTPAALOX5MEN1KMT2ACYP3A4
SCHEMBL9312883 0.79 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR

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