SCHEMBL17326511

SCHEMBL17326511

CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.34
▸ FURIN P09958 5/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ NPY4R P50391 6/20 0.31
▸ NPY1R P25929 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ NPY5R Q15761 3/20 0.31
▸ KISS1R Q969F8 1/20 0.30

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
SCHEMBL19604383 0.90 C3AR1 (0.42) FURINC3AR1POLBKMT2ASMN1; SMN2
SCHEMBL23961922 0.89 FURIN (0.34) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL19203658 0.88 FURIN (0.33) FURINC3AR1SIRT6SIRT1LMNA
SCHEMBL16091799 0.85 SIRT5 (0.36) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL20375788 0.85 SIRT5 (0.36) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL15499691 0.85 SIRT5 (0.36) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL17993275 0.85 SIRT5 (0.44) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL25092038 0.85 SIRT5 (0.44) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL21103418 0.85 SIRT5 (0.36) SIRT5FURINC3AR1SIRT6SIRT1
SCHEMBL18661755 0.85 SIRT5 (0.36) SIRT5FURINC3AR1SIRT6SIRT1

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
WO-2016160615-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2016-10-06 — — WO disclosed
WO-2015187596-A2 BIOLOGICALLY ACTIVE MOLECULE CONJUGATES, REAGENTS AND METHODS OF MANUFACTURE, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. (US) 2015-12-10 — — WO disclosed
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