SCHEMBL22670032

SCHEMBL22670032

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ KAT8 Q9H7Z6 6/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ EP300 Q09472 4/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LOX P28300 1/20 0.44
▸ LOXL3 P58215 1/20 0.44
▸ LOXL4 Q96JB6 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ PSMD14 O00487 1/20 0.43

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
SCHEMBL5713339 0.83 LOX (0.63) POLBHTTLMNAPKMMAPT
SCHEMBL5928736 0.81 MAPT (0.49) HTTLMNAMAPTALDH1A1KDM4E
SCHEMBL15690146 0.81 LOX (0.69) POLBHTTLMNAPKMMAPT
SCHEMBL5928770 0.76 MAPT (0.67) POLBHTTLMNAPKMMAPT
SCHEMBL8663311 0.76 ALDH1A1 (0.76) POLBHTTLMNAPKMMAPT
SCHEMBL22678453 0.75 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL22670353 0.74 ACSS2 (0.48) HTTLMNAPKMMAPTALDH1A1
SCHEMBL5204074 0.73 MAPT (0.52) POLBHTTLMNAPKMMAPT
SCHEMBL5204078 0.73 MAPT (0.52) POLBHTTLMNAPKMMAPT
SCHEMBL5206340 0.71 MAPT (0.50) POLBHTTLMNAPKMMAPT

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-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
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