SCHEMBL23348289

SCHEMBL23348289

CC(O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.60
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ SIRT1 Q96EB6 4/20 0.55
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ SIRT2 Q8IXJ6 4/20 0.53
▸ SIRT3 Q9NTG7 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL18806287 0.90 FOLH1 (0.59) FOLH1CPB1CPB2CA1CA2
SCHEMBL18806289 0.89 FOLH1 (0.58) FOLH1CPB1CPB2CA1CA2
SCHEMBL17244715 0.88 SIRT5 (0.62) FOLH1SIRT1SIRT2SIRT3HTT
SCHEMBL18806288 0.88 CPB1 (0.58) FOLH1CPB1CPB2CA1CA2
SCHEMBL18789040 0.88 FOLH1 (0.57) FOLH1CPB1CPB2CA1CA2
SCHEMBL18782954 0.87 FOLH1 (0.56) FOLH1CPB1CPB2CA1CA2
SCHEMBL18789049 0.87 CAPN1 (0.63) SIRT5
SCHEMBL17694108 0.86 SIRT2 (0.68) SIRT1SIRT2SIRT3
SCHEMBL18789038 0.85 FOLH1 (0.59) FOLH1SIRT1SIRT2SIRT3HTT
SCHEMBL18806286 0.85 FOLH1 (0.61) FOLH1CPB1CPB2CA1CA2

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
EP-3129014-B1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS TETRAHEDRON (FR) 2021-05-12 — — EP disclosed
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