SCHEMBL28689709

SCHEMBL28689709

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ ACSS2 Q9NR19 5/20 0.48
▸ MAPT P10636 5/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ LOX P28300 1/20 0.41
▸ LOXL3 P58215 1/20 0.41
▸ LOXL4 Q96JB6 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL28933622 0.88 ACSS2 (0.59) HTTLMNAPKMACSS2MAPT
SCHEMBL28708882 0.88 HTT (0.47) HTTLMNAPKMACSS2MAPT
SCHEMBL28702514 0.85 ACSS2 (0.55) HTTLMNAPKMACSS2MAPT
SCHEMBL28933623 0.81 HTT (0.50) HTTLMNAPKMACSS2MAPT
SCHEMBL28708842 0.80 LMNA (0.75) HTTLMNAPKMACSS2MAPT
SCHEMBL28699196 0.80 HTT (0.49) HTTLMNAPKMACSS2MAPT
SCHEMBL28709872 0.79 HTT (0.57) HTTLMNAPKMACSS2MAPT
SCHEMBL28700508 0.79 HTT (0.48) HTTLMNAPKMACSS2MAPT
SCHEMBL28709789 0.77 HTT (0.58) HTTLMNAPKMACSS2MAPT
SCHEMBL22678453 0.77 MAPT (0.41) ACSS2MAPTALDH1A1KDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 — — CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 — — CN disclosed
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