SCHEMBL3468902

SCHEMBL3468902

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cccn3Cc3ccccc3)n2)c(O)c1C

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 2/20 0.32
MAPK14 Q16539 1/20 0.31
KMT2A Q03164 2/20 0.31
GLA P06280 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
GBA1 P04062 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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
SCHEMBL3468897 0.97 LMNA (0.31) ALDH1A1LMNACA2CYP3A4MAPK1
SCHEMBL3468817 0.97 LMNA (0.32) ALDH1A1LMNACA2CYP3A4MAPK1
SCHEMBL3468887 0.94 KCNA3 (0.31) MAPK14
SCHEMBL3469018 0.93 KCNA3 (0.32) ALDH1A1MAPK14GLAGAAMAPT
SCHEMBL3468911 0.90 LMNA (0.32) ALDH1A1LMNACA2CYP3A4MAPK1
SCHEMBL3469062 0.89 LMNA (0.32) ALDH1A1LMNACA2CYP3A4MAPK1
SCHEMBL3468763 0.86 TP53 (0.35) ALDH1A1MAPK14HPGD
SCHEMBL3468877 0.86 ALDH1A1 (0.33) ALDH1A1LMNACA2CYP3A4MAPK1
SCHEMBL3469027 0.85 PRSS1 (0.32)
SCHEMBL3226436 0.84 LMNA (0.35) ALDH1A1LMNACA2CYP3A4MAPK1

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