SCHEMBL8029933

SCHEMBL8029933

CCCCCC(OCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLK1 P53350 3/20 0.35
PTPN11 Q06124 2/20 0.34
THRA P10827 2/20 0.33
THRB P10828 1/20 0.33
NR5A1 Q13285 1/20 0.33
MAPK1 P28482 2/20 0.33
ALOX5 P09917 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8030160 0.99 CNR2 (0.39) CNR2MEN1ALDH1A1KMT2ANPC1
SCHEMBL8036057 0.99 CNR2 (0.39) CNR2MEN1ALDH1A1KMT2ANPC1
SCHEMBL1026371 0.88 CNR2 (0.39) CNR2PLK1PTPN11THRATHRB
SCHEMBL3429750 0.87 CNR2 (0.42) CNR2MEN1ALDH1A1KMT2ANPC1
SCHEMBL30575191 0.86 CNR1 (0.34) CNR2NPC1MAPTRAB9APLK1
SCHEMBL8033620 0.85 ADRB2 (0.36) CNR2MEN1ALDH1A1KMT2ANPC1
SCHEMBL29357244 0.84 NPC1 (0.47) MEN1ALDH1A1KMT2ANPC1GAA
SCHEMBL22714144 0.84 NPC1 (0.47) MEN1ALDH1A1KMT2ANPC1GAA
SCHEMBL30643197 0.84 NPC1 (0.47) MEN1ALDH1A1KMT2ANPC1GAA
SCHEMBL3226120 0.84 NPC1 (0.47) MEN1ALDH1A1KMT2ANPC1GAA

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-0982356-A2 Improved stabilized coatings Clariant Finance (BVI) Limited (VG) 2000-03-01 EP disclosed