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SCHEMBL28948762

SCHEMBL28948762

CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1.O=C(NCCCC[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)N(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 14/20 0.47
▸ SIRT1 Q96EB6 11/20 0.47
▸ SIRT3 Q9NTG7 7/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ FOLH1 Q04609 2/20 0.44
▸ TGM2 P21980 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
SCHEMBL15238820 0.91 FOLH1 (0.48) ALDH1A1GAAFOLH1TGM2
SCHEMBL31277511 0.88 SIRT2 (0.51) SIRT2SIRT1SIRT3ALDH1A1FOLH1
SCHEMBL21543891 0.88 SIRT2 (0.51) SIRT2SIRT1SIRT3ALDH1A1FOLH1
SCHEMBL21715232 0.87 CTSL (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL16762202 0.84 FOLH1 (0.52) FOLH1
SCHEMBL21543552 0.83 MAPT (0.57) CTSSFOLH1
SCHEMBL21715254 0.82 CTSK (0.53) SIRT2SIRT1
SCHEMBL16762298 0.82 CA1 (0.54) FOLH1TGM2
SCHEMBL21715244 0.82 CA1 (0.54) FOLH1TGM2
SCHEMBL28820442 0.82 SIRT2 (0.47) SIRT2SIRT1SIRT3ALDH1A1GAA

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-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 — — CN disclosed