SCHEMBL23320862

SCHEMBL23320862

CC(C)(C)C(C(=O)O)N1C(=O)CCc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.40
HSD17B3 P37058 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HIF1A Q16665 1/20 0.39
SRD5A1 P18405 2/20 0.38
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
CASP2 P42575 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL30926398 0.81 CYP2D6 (0.46) LMNAPMP22NPSR1GFERHSD17B3
SCHEMBL2510978 0.75 ALDH1A1 (0.40) CYP2D6ALDH1A1PKM
SCHEMBL2511201 0.75 ALDH1A1 (0.40) CYP2D6ALDH1A1PKM
SCHEMBL16435121 0.73 CYP11B2 (0.38) HSD17B3CYP1A2SRD5A1ALDH1A1PKM
SCHEMBL16435103 0.73 HSD17B3 (0.45) HSD17B3CYP1A2SRD5A1HDAC1HDAC6
SCHEMBL17419131 0.73 SRD5A1 (0.55) HSD17B3CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL31597788 0.73 SRD5A1 (0.55) HSD17B3CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1896345 0.71 CUL4A (0.49) ALDH1A1SDCBPSDC2
SCHEMBL16435033 0.71 HSD17B3 (0.45) HSD17B3CYP1A2
SCHEMBL3783027 0.70 HSD17B3 (0.40) LMNAPMP22NPSR1GFERHSD17B3

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
EP-3819305-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2021-05-12 EP disclosed