SCHEMBL8775450

SCHEMBL8775450

CCCCC(CC)COCC(O)COc1ccc(-c2nc(OC)nc(-c3ccc(OCC(O)COCC(CC)CCCC)cc3O)n2)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
PLA2G4B P0C869 1/20 0.34
LMNA P02545 2/20 0.34
ADRB2 P07550 4/20 0.33
ALDH1A1 P00352 4/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12755375 0.94 PLA2G4B (0.38) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL14070539 0.91 NPC1 (0.40) NPC1TDP1LMNAALDH1A1TSHR
SCHEMBL15721420 0.90 TDP1 (0.38) NPC1TDP1LMNAALDH1A1ADRB3
SCHEMBL8775477 0.88 PLA2G4B (0.40) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL12755329 0.88 NPC1 (0.41) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL8775238 0.87 LMNA (0.38) TDP1PLA2G4BLMNAALDH1A1TSHR
SCHEMBL19834740 0.87 PLA2G4B (0.38) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL77080 0.87 PLA2G4B (0.33) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL27982321 0.87 PLA2G4B (0.33) NPC1TDP1PLA2G4BLMNAADRB2
SCHEMBL20604121 0.87 PLA2G4B (0.33) NPC1TDP1PLA2G4BLMNAADRB2

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-0520938-B1 UV-absorber containing photographic material CIBA GEIGY AG (CH) 1997-09-24 EP disclosed
US-5488108-A PROTECTIVE COATINGS FOR RADIATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5364749-A Photographic material containing UV absorber CIBA-GEIGY CORPORATION (US) 1994-11-15 US disclosed
EP-0520938-A1 UV-absorber containing photographic material CIBA-GEIGY AG (CH) 1992-12-30 EP disclosed