SCHEMBL22678453

SCHEMBL22678453

CC1=NN(c2ccc(OC(C)C)cc2)C(=O)C1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LOX P28300 1/20 0.39
▸ LOXL3 P58215 1/20 0.39
▸ LOXL4 Q96JB6 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ GFER P55789 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL22670353 0.88 ACSS2 (0.48) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL5928818 0.85 MEN1 (0.50) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL5928903 0.82 MAPT (0.48) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL5713339 0.78 LOX (0.63) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL28689709 0.77 HTT (0.51) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL22670153 0.77 HPGD (0.41) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL22670032 0.75 POLB (0.49) MAPTKMT2AMEN1KDM4ETHRB
SCHEMBL29409974 0.70 MAPT (0.55) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL28709911 0.69 ACSS2 (0.49) MAPTKMT2AMEN1ALDH1A1LOX
SCHEMBL22671454 0.68 MAPT (0.37) MAPTKMT2AMEN1KDM4ETHRB

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
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
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