SCHEMBL9655147

SCHEMBL9655147

Cc1cc(C)nc(NC(=O)CC2(C)CCc3c(C)c(OCC(=O)O)c(C)c(C)c3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.49
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 1/20 0.36
GSTO1 P78417 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE3A Q14432 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
SCHEMBL9313487 0.91 PSEN1 (0.40) PSEN1MAPK1CYP1A2CYP3A4MEN1
SCHEMBL9314952 0.89 PSEN1 (0.38) PSEN1MAPK1CYP1A2CYP3A4MEN1
SCHEMBL9312778 0.87 PSEN1 (0.51) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9655667 0.87 KMT2A (0.48) PSEN1MAPK1CYP1A2CYP3A4PTPN1
SCHEMBL9314041 0.87 PSEN1 (0.42) PSEN1MAPK1CYP1A2CYP3A4MEN1
SCHEMBL9313627 0.86 MEN1 (0.39) PSEN1MAPK1CYP1A2CYP3A4PTPN1
SCHEMBL9313801 0.86 PSEN1 (0.54) PSEN1PTPN1GSTO1MEN1KMT2A
SCHEMBL9312779 0.85 PSEN1 (0.52) PSEN1MAPK1CYP1A2CYP3A4
SCHEMBL9655394 0.85 CYP3A4 (0.44) MAPK1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL9255031 0.84 PSEN1 (0.50) PSEN1MAPK1CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed