SCHEMBL17039829

SCHEMBL17039829

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.49
SIRT1 Q96EB6 9/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT5 Q9NXA8 6/20 0.47
SIRT3 Q9NTG7 3/20 0.47

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
SCHEMBL17039823 1.00 SIRT2 (0.49) SIRT2SIRT1KDM4EMEN1ALDH1A1
SCHEMBL17039828 0.97 SIRT2 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17040113 0.94 SIRT2 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039854 0.94 SIRT2 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039825 0.90 CA12 (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL30070767 0.88 RAB9A (0.56) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL29374941 0.88 SIRT2 (0.46) SIRT2SIRT1KDM4EMEN1ALDH1A1
SCHEMBL1842451 0.88 SIRT2 (0.46) SIRT2SIRT1KDM4EMEN1ALDH1A1
SCHEMBL17039824 0.87 CA12 (0.52) SIRT2SIRT1SIRT5SIRT3
Hydrochloric Acid SCHEMBL1723683 0.87 SIRT2 (0.46) SIRT2SIRT1KDM4EMEN1ALDH1A1

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-2015123783-A1 CATHEPSIN B-TARGETING PROBES THUNDER BAY REGIONAL RESEARCH INSTITUTE (CA) 2015-08-27 WO disclosed