SCHEMBL9655667

SCHEMBL9655667

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
TTPA P49638 3/20 0.42
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.37
GSTO1 P78417 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 5/20 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
SCHEMBL9313627 0.91 MEN1 (0.39) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9655147 0.87 PSEN1 (0.49) KMT2AMEN1PDE4APDE3AMAPK1
SCHEMBL9314952 0.87 PSEN1 (0.38) KMT2AMEN1PDE4APDE3AMAPK1
SCHEMBL9428314 0.87 MEN1 (0.49) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9655394 0.87 CYP3A4 (0.44) KMT2AMEN1TTPAALOX5MAPK1
SCHEMBL9312856 0.87 MEN1 (0.51) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9314041 0.85 PSEN1 (0.42) KMT2AMEN1PDE4APDE3AMAPK1
SCHEMBL9313487 0.85 PSEN1 (0.40) KMT2AMEN1PDE4APDE3AMAPK1
SCHEMBL9427451 0.84 TTPA (0.53) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9314117 0.83 MEN1 (0.45) KMT2AMEN1PDE4APDE3ATTPA

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