SCHEMBL9312778

SCHEMBL9312778

Cc1cc(C)nc(NCC2(C)CCc3c(C)c(OCC(=O)O)c(C)c(C)c3O2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.51
PTPN1 P18031 1/20 0.37
GSTO1 P78417 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36
ALOX5 P09917 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 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
SCHEMBL9313801 0.91 PSEN1 (0.54) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9313892 0.90 PSEN1 (0.41) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9655147 0.87 PSEN1 (0.49) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9428314 0.87 MEN1 (0.49) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9656054 0.86 PSEN1 (0.35) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9427843 0.85 AKT1 (0.35) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9312779 0.83 PSEN1 (0.52) PSEN1
SCHEMBL9314118 0.83 PSEN1 (0.39) PSEN1GSTO1MEN1KMT2APDE4A
SCHEMBL9428539 0.82 USP2 (0.46) MEN1KMT2AALOX5
SCHEMBL9255031 0.82 PSEN1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed