SCHEMBL22873329

SCHEMBL22873329

CC(C)[C@H](NN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 3/20 0.39
▸ FURIN P09958 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ FAP Q12884 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL21254306 0.90 FURIN (0.38) SIRT1FURINHTTMAP1LC3BSMN1; SMN2
SCHEMBL25765345 0.89 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL22067810 0.88 FAP (0.39) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL21841772 0.86 FURIN (0.39) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL23420151 0.84 FAP (0.48) SIRT2SIRT1SIRT3SIRT5MAP1LC3B
SCHEMBL14978945 0.84 FAP (0.48) SIRT2SIRT1SIRT3SIRT5MAP1LC3B
SCHEMBL27249189 0.84 FAP (0.48) SIRT2SIRT1SIRT3SIRT5MAP1LC3B
SCHEMBL23843840 0.84 FAP (0.48) SIRT2SIRT1SIRT3SIRT5MAP1LC3B
SCHEMBL24094770 0.83 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL22479752 0.83 SIRT1 (0.47) SIRT2SIRT1SIRT3SIRT5FURIN

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
EP-3760233-B1 ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE MABPLEX INT CO LTD (CN) 2023-07-12 — — EP disclosed
EP-3760233-A1 ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE Mabplex International, Ltd. (CN) 2021-01-06 — — EP disclosed
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