SCHEMBL3468877

SCHEMBL3468877

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cccn3C)n2)c(O)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 3/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CRHR1 P34998 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL3469000 0.93
SCHEMBL3468759 0.92 PRSS1 (0.30) PRSS1PRSS2PRSS3
SCHEMBL3469062 0.89 LMNA (0.32) ALDH1A1LMNACYP3A4CA2MAPK1
SCHEMBL4534966 0.88 MAPT (0.35) ALDH1A1LMNACYP3A4CA2MAPK1
SCHEMBL3468902 0.86 ALDH1A1 (0.32) ALDH1A1LMNACYP3A4CA2MAPK1
SCHEMBL3363792 0.85 CYP3A4 (0.36) ALDH1A1LMNACYP3A4CA2MAPK1
SCHEMBL3469027 0.84 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL3363710 0.83 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CA2
SCHEMBL3468897 0.83 LMNA (0.31) ALDH1A1LMNACYP3A4CA2MAPK1
SCHEMBL3468817 0.83 LMNA (0.32) ALDH1A1LMNACYP3A4CA2MAPK1

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