SCHEMBL22698603

SCHEMBL22698603

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.35
▸ SIRT1 Q96EB6 11/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ SIRT5 Q9NXA8 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ FAP Q12884 3/20 0.33

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
SCHEMBL20830828 0.94 SIRT2 (0.34) SIRT2SIRT1SIRT3SIRT5OPRM1
SCHEMBL19683931 0.94 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL28953170 0.93 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL22698653 0.92 SIRT2 (0.36) SIRT2SIRT1SIRT3SIRT5
SCHEMBL16847844 0.92 OPRM1 (0.33) SIRT2SIRT1SIRT3OPRM1OPRD1
SCHEMBL17801960 0.92 ITGB1 (0.34) SIRT2SIRT1SIRT3SIRT5OPRM1
SCHEMBL17813693 0.91 RAB9A (0.36) SIRT2SIRT1SIRT3OPRM1OPRD1
SCHEMBL21695294 0.91 HDAC3 (0.37) SIRT2SIRT1OPRM1OPRD1OPRK1
SCHEMBL17650868 0.91 HDAC3 (0.32) SIRT2SIRT1OPRM1OPRD1OPRK1
SCHEMBL17803640 0.87 PDF (0.38) —

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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