SCHEMBL19709072

SCHEMBL19709072

CC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCNC(=O)CI)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.42
▸ SIRT1 Q96EB6 7/20 0.42
▸ SIRT5 Q9NXA8 3/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ FURIN P09958 2/20 0.38
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL21780990 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17722898 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17815262 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL21008362 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL21413563 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL20467873 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL26412865 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17722938 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL19046498 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17815409 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT

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
WO-2017214456-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 — — WO disclosed
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