SCHEMBL3469062

SCHEMBL3469062

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cccn3CC(CC)CCCC)n2)c(O)c1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 2/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 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
SCHEMBL3469027 0.95 PRSS1 (0.32)
SCHEMBL3468902 0.89 ALDH1A1 (0.32) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL3468877 0.89 ALDH1A1 (0.33) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL3469030 0.86 TYR (0.32) LMNAALDH1A1MAPK1TSHRHSD17B10
SCHEMBL3468897 0.86 LMNA (0.31) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL3468817 0.86 LMNA (0.32) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL13282831 0.84
SCHEMBL3361773 0.84 CA2 (0.33) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL3360996 0.83 ALDH1A1 (0.34) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL3468887 0.83 KCNA3 (0.31)

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