SCHEMBL7744799

SCHEMBL7744799

CCCCCCCCCCCCOCCCCCCCCCCCCCOC(CC)Oc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
PLK1 P53350 3/20 0.38
RARB P10826 1/20 0.35
PTPN11 Q06124 1/20 0.34
NR5A1 Q13285 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STS P08842 3/20 0.34

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
SCHEMBL7744803 0.90 CNR2 (0.36) CNR2PLK1PTPN11NR5A1TP53
SCHEMBL38879 0.87 PLK1 (0.39) CNR2PLK1RARBPTPN11
SCHEMBL16107212 0.85 PLK1 (0.36) CNR2PLK1RARBPTPN11NR5A1
SCHEMBL8030165 0.85 CNR2 (0.33) CNR2PLK1NPC1
SCHEMBL8029936 0.85 CNR2 (0.33) CNR2PLK1NPC1
SCHEMBL8036063 0.85 CNR2 (0.33) CNR2PLK1NPC1
SCHEMBL4562628 0.84 PLK1 (0.36) CNR2PLK1PTPN11TP53TSHR
SCHEMBL5081657 0.83 PLK1 (0.40) CNR2PLK1PTPN11NR5A1TP53
SCHEMBL45412 0.82 NR5A1 (0.49) CNR2PLK1PTPN11NR5A1TP53
SCHEMBL6029292 0.82 NR5A1 (0.49) CNR2PLK1PTPN11NR5A1TP53

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-6468958-B2 LIGHT, OXYGEN AND HEAT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2002-10-22 US disclosed