SCHEMBL3468874

SCHEMBL3468874

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.33
PDE4B Q07343 3/20 0.33
PDE4D Q08499 3/20 0.33
ADAM17 P78536 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TLR8 Q9NR97 1/20 0.30
ABCC2 Q92887 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3468899 0.95 CRHR1 (0.34) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3359268 0.95 CRHR1 (0.34) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3475364 0.94 ADAM17 (0.34) CRHR1PDE4BPDE4DADAM17TLR8
SCHEMBL3469068 0.94 CRHR1 (0.34) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3361360 0.89 MEN1 (0.33) CRHR1
SCHEMBL3468921 0.89 ABCC2 (0.37) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3362115 0.88 PDE4B (0.36) CRHR1PDE4BPDE4DTLR8ABCC2
SCHEMBL3361773 0.83 CA2 (0.33) SMN1; SMN2
SCHEMBL3478248 0.83 CRHR1 (0.34) CRHR1PDE4BPDE4DKDM4EHSD17B10
SCHEMBL3364964 0.83 ICMT (0.33)

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