SCHEMBL9312801

SCHEMBL9312801

COc1cc(NC(=O)CC2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PDE4A P27815 1/20 0.49
PDE3A Q14432 1/20 0.49
TTPA P49638 3/20 0.44
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 1/20 0.38
GSTO1 P78417 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9312775 0.88 ALOX5 (0.44) KMT2AMEN1TTPAALOX5SMN1; SMN2
SCHEMBL9010322 0.84 TTPA (0.54) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9257714 0.83 TTPA (0.48) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9312856 0.82 MEN1 (0.51) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9075119 0.80 MEN1 (0.59) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9655667 0.79 KMT2A (0.48) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL11706578 0.78 MEN1 (0.61) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL11706067 0.78 MEN1 (0.61) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL11705132 0.78 MEN1 (0.61) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL11703482 0.77 MEN1 (0.60) 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
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed