SCHEMBL3469903

SCHEMBL3469903

CCC(CC)Cn1cc(-c2nc(-c3ccc(O)c(C)c3O)nc(-c3ccc(O)c(C)c3O)n2)c2cc(OC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.39
PDE4D Q08499 3/20 0.39
NPC1 O15118 2/20 0.36
GRIK2 Q13002 2/20 0.35
GRIK1 P39086 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HTR6 P50406 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CRHR1 P34998 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL3362115 0.93 PDE4B (0.36) PDE4BPDE4DNPC1GRIK2GRIK1
SCHEMBL3360889 0.86 MGLL (0.33) PDE4BPDE4DGRIK2GRIK1KDM4E
SCHEMBL3469137 0.85 ABCC2 (0.45) PDE4BPDE4DKDM4EHSD17B10HTR6
SCHEMBL3474171 0.84 PDE4B (0.34) PDE4BPDE4DKDM4EHSD17B10CRHR1
SCHEMBL3469068 0.84 CRHR1 (0.34) PDE4BPDE4DKDM4EHSD17B10CRHR1
SCHEMBL3468899 0.82 CRHR1 (0.34) PDE4BPDE4DKDM4EHSD17B10CRHR1
SCHEMBL3359268 0.82 CRHR1 (0.34) PDE4BPDE4DKDM4EHSD17B10CRHR1
SCHEMBL3468874 0.81 CRHR1 (0.33) PDE4BPDE4DKDM4EHSD17B10CRHR1
SCHEMBL3475364 0.79 ADAM17 (0.34) PDE4BPDE4DCRHR1CDK1CCNB1
SCHEMBL3477772 0.79 NPC1 (0.39) PDE4BPDE4DNPC1KDM4EALDH1A1

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