SCHEMBL28599266

SCHEMBL28599266

CC(C)(CC=O)CC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ELANE P08246 3/20 0.41
ATM Q13315 2/20 0.41
CYP19A1 P11511 1/20 0.41
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 4/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 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
SCHEMBL10268311 0.85 L3MBTL1 (0.36) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL9427528 0.81 CYP2C19 (0.47) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL28083816 0.81 ELANE (0.47) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL4517849 0.80 ELANE (0.42) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL31534650 0.80 L3MBTL1 (0.42) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL2448081 0.79 L3MBTL1 (0.47) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL28604278 0.79 L3MBTL1 (0.41) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL17996061 0.78 ALDH1A1 (0.51) L3MBTL1TDP1KMT2AALDH1A1LMNA
SCHEMBL3286733 0.76 ELANE (0.40) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL9632703 0.76 L3MBTL1 (0.43) L3MBTL1ELANEATMCYP19A1MAPT

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-108040479-B Hydrogen sulfide precursors and conjugates thereof 乔治亚州立大学研究基金会股份有限公司 2021-08-03 CN disclosed