SCHEMBL21167802

SCHEMBL21167802

NCCCCCC(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.42
SIRT1 Q96EB6 11/20 0.42
ROCK2 O75116 1/20 0.42
SIRT3 Q9NTG7 7/20 0.42
SIRT5 Q9NXA8 3/20 0.41
HDAC1 Q13547 1/20 0.40
CD40 P25942 1/20 0.40
CHRND Q07001 1/20 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
SCHEMBL16274033 0.89 ROCK2 (0.44) ROCK2CD40CHRND
SCHEMBL16274143 0.89 ROCK2 (0.44) ROCK2CD40CHRND
SCHEMBL16156452 0.87 SIRT2 (0.42) SIRT2SIRT1ROCK2SIRT3SIRT5
SCHEMBL24728294 0.85 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL26273239 0.84 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5CHRND
SCHEMBL24253175 0.83 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HDAC1
SCHEMBL22214485 0.82 SIRT2 (0.46) SIRT2SIRT1SIRT3
SCHEMBL20043710 0.81 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL18556695 0.81 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL22643511 0.81 SIRT2 (0.49) SIRT2SIRT1ROCK2SIRT3

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-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 EP disclosed