SCHEMBL3361773

SCHEMBL3361773

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cn(CC(CC)CCCC)c4ccccc34)n2)c(O)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CNR2 P34972 2/20 0.31
TP53 P04637 4/20 0.31
MAPT P10636 4/20 0.31
POLB P06746 1/20 0.31
ASH1L Q9NR48 2/20 0.31
MAPK1 P28482 2/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
SPHK2 Q9NRA0 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3360185 0.96 PRSS1 (0.33) CA2ALDH1A1CA12CA1CA9
SCHEMBL3364964 0.90 ICMT (0.33) CNR2
SCHEMBL3363710 0.89 ALDH1A1 (0.37) CA2ALDH1A1LMNACYP3A4
SCHEMBL3359268 0.88 CRHR1 (0.34) CNR2
SCHEMBL3363585 0.88 CA12 (0.34) CA2ALDH1A1CA12CA1CA9
SCHEMBL3468866 0.88 DYRK1A (0.35) CA2ALDH1A1LMNACYP3A4CNR2
SCHEMBL3469068 0.87 CRHR1 (0.34) CNR2
SCHEMBL3468899 0.87 CRHR1 (0.34) CNR2
SCHEMBL3361360 0.85 MEN1 (0.33) CNR2MEN1KMT2A
SCHEMBL13270933 0.85 ICMT (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210887-A1 Bis resorcinyl triazine derivatives as protecting agents against UV radiation ISDIN, S.A. (ES) 2010-07-28 EP claimed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO claimed
EP-2210887-A1 Bis resorcinyl triazine derivatives as protecting agents against UV radiation ISDIN, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed