SCHEMBL28820366

SCHEMBL28820366

CCCCCC(=O)NCc1cccs1.O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SIRT1 Q96EB6 12/20 0.46
SIRT3 Q9NTG7 8/20 0.46
FOLH1 Q04609 1/20 0.42
PTGER4 P35408 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL28820387 0.93 SIRT2 (0.51) SIRT2SIRT1SIRT3FOLH1ALDH1A1
SCHEMBL21715244 0.89 CA1 (0.54) CA1CA2FOLH1PTGER4
SCHEMBL16762298 0.89 CA1 (0.54) CA1CA2FOLH1PTGER4
SCHEMBL31277511 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3FOLH1ALDH1A1
SCHEMBL21543891 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3FOLH1ALDH1A1
SCHEMBL16762202 0.82 FOLH1 (0.52) CA1CA2FOLH1
SCHEMBL28948762 0.79 SIRT2 (0.47) SIRT2SIRT1SIRT3FOLH1ALDH1A1
SCHEMBL21715232 0.79 CTSL (0.55) SIRT2SIRT1SIRT3ALDH1A1GAA
SCHEMBL21543552 0.79 MAPT (0.57) FOLH1
SCHEMBL21715254 0.79 CTSK (0.53) SIRT2SIRT1

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