SCHEMBL9257328

SCHEMBL9257328

COc1cc(NC(=S)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)c(C(=O)O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.45
ALOX5 P09917 2/20 0.45
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 2/20 0.41
PSEN1 P49768 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP1A2 P05177 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL9010324 0.91 TTPA (0.51) TTPAALOX5KDM4EMAPK1PSEN1
SCHEMBL9250498 0.88 PTGS1 (0.52) KDM4EMAPK1MEN1KMT2ACYP1A2
SCHEMBL9257714 0.83 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9253892 0.82 TTPA (0.50) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9259589 0.81 TTPA (0.46) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9255259 0.81 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9010313 0.80 PTGS1 (0.56) KDM4EMAPK1CYP1A2PTGS1PTGS2
SCHEMBL9250111 0.79 TTPA (0.51) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9250968 0.78 HTT (0.44) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9255238 0.78 TTPA (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