SCHEMBL20169545

SCHEMBL20169545

COc1ccccc1CN1CC(=O)C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8565231 0.76 MEN1 (0.52) USP2HSD17B10MEN1KMT2ABRD4
SCHEMBL8565227 0.76 MEN1 (0.52) USP2HSD17B10MEN1KMT2ABRD4
SCHEMBL23580062 0.75 TSHR (0.44) MEN1KMT2ABRD4TSHRALDH1A1
SCHEMBL21723493 0.74 DRD2 (0.54) USP2HSD17B10MEN1KMT2AKDM4E
SCHEMBL7209206 0.73 ACHE (0.60) USP2HSD17B10MEN1KMT2A
SCHEMBL7264952 0.72 MEN1 (0.48) USP2HSD17B10MEN1KMT2ABRD4
SCHEMBL6333612 0.72 OPRK1 (0.53) USP2HSD17B10OPRK1TACR1
SCHEMBL10559750 0.72 MEN1 (0.54) USP2HSD17B10MEN1KMT2AKDM4E
Fluorobenzene SCHEMBL27378912 0.71 TACR1 (0.48) USP2HSD17B10MEN1KMT2ATACR1
SCHEMBL7484195 0.71 ACHE (0.68) MEN1KMT2A

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-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
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