SCHEMBL9313801

SCHEMBL9313801

Cc1cc(C)nc(NCCC2(C)CCc3c(C)c(OCC(=O)O)c(C)c(C)c3O2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.54
GSTO1 P78417 2/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
ALOX5 P09917 2/20 0.37

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
SCHEMBL9312778 0.91 PSEN1 (0.51) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9313669 0.91 PSEN1 (0.43) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9314864 0.86 PSEN1 (0.37) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9655147 0.86 PSEN1 (0.49) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9314082 0.86 MEN1 (0.42) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9313665 0.85 PSEN1 (0.38) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9655989 0.83 MAPT (0.47) MEN1KMT2AALOX5
SCHEMBL9312779 0.82 PSEN1 (0.52) PSEN1
SCHEMBL9313892 0.81 PSEN1 (0.41) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL9255031 0.80 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