SCHEMBL7744803

SCHEMBL7744803

CCCCCCCCCCCCOC(CCCCCCCCCCCC)OC(CC)Oc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
PLK1 P53350 3/20 0.36
PTPN11 Q06124 1/20 0.33
STS P08842 5/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NR5A1 Q13285 1/20 0.32

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
SCHEMBL7744799 0.90 CNR2 (0.38) CNR2PLK1PTPN11STSTP53
SCHEMBL2382897 0.88 PLK1 (0.36) CNR2PLK1PTPN11STS
SCHEMBL8030165 0.84 CNR2 (0.33) CNR2PLK1
SCHEMBL8036063 0.84 CNR2 (0.33) CNR2PLK1
SCHEMBL8029936 0.84 CNR2 (0.33) CNR2PLK1
SCHEMBL16163716 0.82 PLA2G4B (0.42) CNR2PLK1PTPN11NR5A1
SCHEMBL10253638 0.81 CNR1 (0.36) CNR2PLK1PTPN11TP53TSHR
SCHEMBL1068828 0.81 TLR8 (0.35) CNR2PLK1TP53TSHR
SCHEMBL5081657 0.81 PLK1 (0.40) CNR2PLK1PTPN11TP53TSHR
SCHEMBL7709567 0.80 TLR8 (0.36) CNR2PLK1TP53TSHR

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