SCHEMBL9255031

SCHEMBL9255031

Cc1cc(C)nc(NC(=S)C2(C)CCc3c(C)c(OCC(=O)O)c(C)c(C)c3O2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.50
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
TTPA P49638 1/20 0.36
ALOX5 P09917 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL9312779 0.91 PSEN1 (0.52) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9254582 0.91 PSEN1 (0.44) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9250373 0.87 PSEN1 (0.41) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9259100 0.86 TTPA (0.47) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9254414 0.86 PSEN1 (0.41) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9258125 0.85 PSEN1 (0.45) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9655147 0.84 PSEN1 (0.49) PSEN1CYP1A2CYP3A4MAPK1
SCHEMBL9250207 0.82 PSEN1 (0.47) PSEN1CYP1A2CYP3A4PTGS1PTGS2
SCHEMBL9256806 0.82 PTGS1 (0.49) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL9312778 0.82 PSEN1 (0.51) PSEN1ALOX5

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