SCHEMBL3469068

SCHEMBL3469068

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cn(CC(CC)CC)c4ccc(OC)cc34)n2)c(O)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
PDE4B Q07343 3/20 0.34
PDE4D Q08499 3/20 0.34
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TLR8 Q9NR97 1/20 0.31
ABCC2 Q92887 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3359268 0.98 CRHR1 (0.34) CRHR1PDE4BPDE4DTDP1CNR2
SCHEMBL3468899 0.97 CRHR1 (0.34) CRHR1PDE4BPDE4DCNR2CDK1
SCHEMBL3475364 0.95 ADAM17 (0.34) CRHR1PDE4BPDE4DTDP1CNR2
SCHEMBL3468874 0.94 CRHR1 (0.33) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3468921 0.94 ABCC2 (0.37) CRHR1PDE4BPDE4DCNR2CDK1
SCHEMBL3361360 0.92 MEN1 (0.33) CRHR1TDP1CNR2
SCHEMBL3478248 0.88 CRHR1 (0.34) CRHR1PDE4BPDE4DTDP1KDM4E
SCHEMBL3474171 0.88 PDE4B (0.34) CRHR1PDE4BPDE4DTDP1CNR2
SCHEMBL3362115 0.88 PDE4B (0.36) CRHR1PDE4BPDE4DCNR2TLR8
SCHEMBL3361773 0.87 CA2 (0.33) CNR2

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
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed