SCHEMBL28913551

SCHEMBL28913551

CC(=O)c1c(O)c2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.55
▸ MEN1 O00255 9/20 0.54
▸ KMT2A Q03164 9/20 0.54
▸ ALDH1A1 P00352 9/20 0.54
▸ USP2 O75604 8/20 0.54
▸ GAA P10253 7/20 0.54
▸ MAPT P10636 6/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ HPGD P15428 6/20 0.54
▸ CASP1 P29466 6/20 0.54
▸ CASP7 P55210 6/20 0.54
▸ LMNA P02545 5/20 0.54
▸ HSD17B10 Q99714 5/20 0.54
▸ GLA P06280 4/20 0.54
▸ ATM Q13315 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51

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
SCHEMBL13432110 0.85 SLC16A3 (0.54) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL3209976 0.85 SLC16A3 (0.54) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL3216205 0.81 SLC16A3 (0.52) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL17914323 0.79 ALDH1A1 (0.62) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL3212258 0.79 MEN1 (0.65) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL30057776 0.79 MEN1 (0.65) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL12153732 0.79 ALDH1A1 (0.67) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL12879922 0.77 ALDH1A1 (0.66) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL2843124 0.77 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL29413851 0.77 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2

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-109912612-B Synthesis, preparation and application of fluorescent probe for identifying Cys, GSH and HOCl based on molecular logic gate 郑州大学 2021-05-11 — — CN disclosed
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