SCHEMBL3468899

SCHEMBL3468899

CCCCC(CC)Cn1cc(-c2nc(-c3ccc(OCC(CC)CC)c(C)c3O)nc(-c3ccc(OCC(CC)CC)c(C)c3O)n2)c2cc(OC)ccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
PDE4B Q07343 3/20 0.34
PDE4D Q08499 3/20 0.34
CNR2 P34972 1/20 0.32
MKNK2 Q9HBH9 2/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MKNK1 Q9BUB5 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) CRHR1PDE4BPDE4DCNR2MKNK2
SCHEMBL3469068 0.97 CRHR1 (0.34) CRHR1PDE4BPDE4DCNR2MKNK2
SCHEMBL3468874 0.95 CRHR1 (0.33) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3475364 0.94 ADAM17 (0.34) CRHR1PDE4BPDE4DCNR2MKNK2
SCHEMBL3361360 0.92 MEN1 (0.33) CRHR1CNR2
SCHEMBL3468921 0.92 ABCC2 (0.37) CRHR1PDE4BPDE4DCNR2MKNK2
SCHEMBL3362115 0.89 PDE4B (0.36) CRHR1PDE4BPDE4DCNR2TLR8
SCHEMBL3361773 0.87 CA2 (0.33) CNR2
SCHEMBL3478248 0.86 CRHR1 (0.34) CRHR1PDE4BPDE4DKDM4EHSD17B10
SCHEMBL3364964 0.86 ICMT (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 2 patents. 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 claimed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed