SCHEMBL3468911

SCHEMBL3468911

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(CCC)c3O)nc(-c3cccn3Cc3ccccc3)n2)c(O)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 3/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
PPARG P37231 3/20 0.31
PTGES O14684 2/20 0.31
ALOX5 P09917 2/20 0.31
PSEN1 P49768 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 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
SCHEMBL3468902 0.90 ALDH1A1 (0.32) LMNAALDH1A1CA2CYP3A4AGTR1
SCHEMBL3468817 0.87 LMNA (0.32) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL3468897 0.87 LMNA (0.31) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL13283057 0.86 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL3468887 0.84 KCNA3 (0.31) PPARGPTGESALOX5
SCHEMBL3469018 0.83 KCNA3 (0.32) ALDH1A1PPARGPTGESALOX5AGTR1
SCHEMBL3226436 0.83 LMNA (0.35) LMNAALDH1A1CA2CYP3A4PPARG
SCHEMBL3469062 0.79 LMNA (0.32) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL3468917 0.79 CASR (0.39) LMNAAGTR1AGTR2KMT2A
SCHEMBL3469027 0.75 PRSS1 (0.32)

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