SCHEMBL9254923

SCHEMBL9254923

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=S)Nc1cc(C)c3ccccc3n1)O2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 18/20 0.54
ACHE P22303 18/20 0.54
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9314049 0.89 BCHE (0.62) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9254778 0.86 BCHE (0.51) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9250567 0.86 BCHE (0.44) BCHEACHE
SCHEMBL8542430 0.81 PTGS1 (0.57) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9263192 0.81 PTGS1 (0.43) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9256806 0.81 PTGS1 (0.49) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9313502 0.80 BCHE (0.52) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9313902 0.80 BCHE (0.53) BCHEACHECYP3A4TSHR
SCHEMBL8537690 0.78 PTGS1 (0.53) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9312749 0.78 BCHE (0.53) BCHEACHE

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