SCHEMBL8538124

SCHEMBL8538124

Cc1cc(C)c(NC(=S)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
BCHE P06276 17/20 0.40
ACHE P22303 17/20 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
SCHEMBL9010320 0.88 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9248285 0.84 PTGS1 (0.53) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253892 0.83 TTPA (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9258907 0.83 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8537690 0.81 PTGS1 (0.53) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9258367 0.81 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8542430 0.80 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8543653 0.79 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9256806 0.78 PTGS1 (0.49) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9257226 0.78 PTGS1 (0.46) 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 5 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 claimed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US claimed
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