SCHEMBL22698653

SCHEMBL22698653

NCCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(COO)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.36
▸ SIRT1 Q96EB6 11/20 0.36
▸ SIRT3 Q9NTG7 4/20 0.36
▸ SIRT5 Q9NXA8 3/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34

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
SCHEMBL20831162 0.94 SIRT2 (0.36) SIRT2SIRT1SIRT3SIRT5KLKB1
SCHEMBL22698603 0.92 SIRT2 (0.35) SIRT2SIRT1SIRT3SIRT5
SCHEMBL18332122 0.92 PLG (0.38) SIRT2SIRT1SIRT3KLKB1PLG
SCHEMBL17650869 0.91 PLG (0.36) SIRT2SIRT1KLKB1PLG
SCHEMBL20830828 0.86 SIRT2 (0.34) SIRT2SIRT1SIRT3SIRT5
SCHEMBL19683931 0.86 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5
SCHEMBL28953170 0.85 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5
SCHEMBL26559935 0.84 OPRM1 (0.36) SIRT2SIRT1SIRT3SIRT5
SCHEMBL16847844 0.84 OPRM1 (0.33) SIRT2SIRT1SIRT3
SCHEMBL17801960 0.84 ITGB1 (0.34) SIRT2SIRT1SIRT3SIRT5

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-3458101-B1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-12-30 — — EP disclosed
EP-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 — — EP disclosed
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