SCHEMBL19647265

SCHEMBL19647265

CC(C)[C@H](NC(=O)CCCCCNC(=O)CBr)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.42
▸ SIRT1 Q96EB6 7/20 0.42
▸ SIRT3 Q9NTG7 3/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.41
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ FURIN P09958 2/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL17722897 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL17815434 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL18908994 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL25094717 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL19705471 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL24164488 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL22910731 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL22643617 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL21008370 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL19708927 0.94 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY1R

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-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 — — EP disclosed
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