SCHEMBL30423939

SCHEMBL30423939

CO[Si](OC)(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 2/20 0.38
HTT P42858 1/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 3/20 0.34
NPC1 O15118 2/20 0.34
NFKB1 P19838 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL3110775 0.81 SMN1; SMN2 (0.39) IDO1SMN1; SMN2ALDH1A1L3MBTL1TYR
SCHEMBL3109797 0.79 SMN1; SMN2 (0.38) IDO1SMN1; SMN2ALDH1A1L3MBTL1TYR
Methoxymethane SCHEMBL28341926 0.76 IDO1 (0.50) IDO1SMN1; SMN2ALDH1A1L3MBTL1TYR
SCHEMBL5420851 0.76 SLC6A2 (0.40) IDO1SMN1; SMN2ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28212819 0.76 TYR (0.55) IDO1SMN1; SMN2ALDH1A1L3MBTL1TYR
SCHEMBL1173115 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL29050173 0.74 HDAC4 (0.46) SMN1; SMN2ALDH1A1TYRHTTHPGD
SCHEMBL30492087 0.74 HDAC4 (0.46) SMN1; SMN2ALDH1A1TYRHTTHPGD
SCHEMBL104124 0.72 TYR (0.58) IDO1ALDH1A1TYRHTTRAB9A
SCHEMBL23521412 0.72

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-116143817-A Organic compound, mixture, composition and organic electronic device comprising same 广州华睿光电材料有限公司 2023-05-23 CN disclosed