SCHEMBL25736741

SCHEMBL25736741

CC(S)C(=O)OC12CC3CC(CC(NC(=O)OC(C)(C)C)(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP9 Q86TI2 12/20 0.44
DPP8 Q6V1X1 11/20 0.44
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
EPHX2 P34913 2/20 0.38
CACNA1H O95180 1/20 0.36
GLMN Q92990 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL16540347 0.84 MEN1 (0.50) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL30684977 0.83 MEN1 (0.49) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL25737318 0.82 MEN1 (0.44) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL25736732 0.82 DPP9 (0.47) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL16259930 0.81 MEN1 (0.52) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL25736703 0.80 DPP9 (0.45) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL10447637 0.79 DPP9 (0.46) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL18776035 0.77 DPP9 (0.45) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL18785743 0.77 MEN1 (0.43) MEN1MAPK1KMT2ADPP9DPP8
SCHEMBL25736662 0.77 MEN1 (0.54) MEN1MAPK1KMT2ADPP9DPP8

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed