SCHEMBL9259100

SCHEMBL9259100

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.47
ALOX5 P09917 2/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
PSEN1 P49768 9/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL9427451 0.90 TTPA (0.53) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9254414 0.90 PSEN1 (0.41) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9255031 0.86 PSEN1 (0.50) TTPAALOX5PSEN1PTGS1PTGS2
SCHEMBL9250207 0.86 PSEN1 (0.47) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9255238 0.84 TTPA (0.50) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9256806 0.84 PTGS1 (0.49) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9250373 0.84 PSEN1 (0.41) TTPAALOX5PSEN1PTGS1PTGS2
SCHEMBL9254582 0.84 PSEN1 (0.44) TTPAALOX5PSEN1PTGS1PTGS2
SCHEMBL9268645 0.83 TTPA (0.43) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9250567 0.83 BCHE (0.44) TTPAALOX5KMT2AMEN1PDE4A

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