SCHEMBL29949482

SCHEMBL29949482

CC(C)(C)OC(=O)N1Cc2cccc(CO)c2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
MAPK1 P28482 1/20 0.48
NAMPT P43490 5/20 0.47
GLS O94925 1/20 0.44
ESR2 Q92731 1/20 0.43
UCHL1 P09936 1/20 0.43
ABHD6 Q9BV23 2/20 0.43
NR1H2 P55055 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
HDAC1 Q13547 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL15103318 1.00 DDB1 (0.52) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL9913536 0.88 ESR2 (0.52) DDB1CRBNMAPK1NAMPTESR2
SCHEMBL5774734 0.88 UCHL1 (0.53) DDB1CRBNMAPK1NAMPTESR2
SCHEMBL29554603 0.88 UCHL1 (0.53) DDB1CRBNMAPK1NAMPTESR2
SCHEMBL23121488 0.88 DDB1 (0.51) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL22530386 0.88 DDB1 (0.51) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15042246 0.87 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15104421 0.87 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15042391 0.87 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15103216 0.87 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN disclosed
EP-4031184-A1 FIBROBLAST ACTIVATION PROTEIN (FAP)-TARGETED IMAGING AND THERAPY OF CANCERS AND OTHER FIBROTIC AND INFLAMMATORY DISEASES Purdue Research Foundation (US) 2022-07-27 EP disclosed