SCHEMBL10020867

SCHEMBL10020867

C=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(CO)cc3n2)c1O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CBFB Q13951 2/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 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
SCHEMBL1101121 0.90 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1100680 0.88 NPC1 (0.37) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1100484 0.88 NPC1 (0.38) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29823665 0.87 MAPT (0.32) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL825195 0.87 MAPT (0.32) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1100373 0.87 MAPT (0.34) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29565119 0.85 CSNK1D (0.36) MAPTNPC1RAB9ALMNA
SCHEMBL825192 0.85 CSNK1D (0.36) MAPTNPC1RAB9ALMNA
SCHEMBL29153159 0.79 TDP1 (0.33) KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL10020869 0.78 NPC1 (0.42) MAPTSMN1; SMN2NPC1RAB9AKDM4E

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
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed