SCHEMBL28558458

SCHEMBL28558458

c1ccc(Oc2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(Oc4ccccc4)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
TSHR P16473 1/20 0.52
MAOB P27338 2/20 0.52
AKR1C3 P42330 1/20 0.47
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
MAOA P21397 2/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL23273182 0.87 LTA4H (0.52) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL23273184 0.87 LTA4H (0.52) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL27660935 0.81 LTA4H (0.50) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL1173711 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL4025817 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL30018242 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL30211827 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL595962 0.78 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2AMAOA
SCHEMBL22559 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1
SCHEMBL1173869 0.78 LTA4H (0.75) LTA4HTSHRMAOBAKR1C3MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707923-A Organic electroluminescent material and device 环球展览公司 2021-04-27 CN disclosed