SCHEMBL6287961

SCHEMBL6287961

NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)OCc3ccccc3)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.60
SIRT1 Q96EB6 9/20 0.60
SIRT5 Q9NXA8 3/20 0.60
SIRT3 Q9NTG7 4/20 0.57
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MMP3 P08254 1/20 0.55
LTA4H P09960 1/20 0.53
KDM1A O60341 2/20 0.53
MAOA P21397 1/20 0.53
KDM1B Q8NB78 1/20 0.53

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
SCHEMBL17742350 0.92 SIRT2 (0.69) SIRT2SIRT1SIRT5SIRT3HDAC1
SCHEMBL1674876 0.86 SSTR3 (0.64) SIRT2SIRT1SIRT5SIRT3HDAC1
SCHEMBL7322113 0.84 SIRT2 (0.62) SIRT2SIRT1SIRT5SIRT3
SCHEMBL7322118 0.84 SIRT2 (0.62) SIRT2SIRT1SIRT5SIRT3
SCHEMBL8130735 0.83 SIRT5 (0.58) SIRT2SIRT1SIRT5SIRT3HDAC1
Hydrochloric Acid SCHEMBL7982992 0.83 SIRT2 (0.61) SIRT2SIRT1SIRT5SIRT3
SCHEMBL15865985 0.82 MMP3 (0.55) SIRT2SIRT1SIRT5SIRT3MMP3
SCHEMBL15968143 0.81 ITGB3 (0.66) SIRT2SIRT1SIRT3
SCHEMBL287475 0.81 ITGB3 (0.66) SIRT2SIRT1SIRT3
SCHEMBL9086439 0.81 ITGB3 (0.60) SIRT2SIRT1SIRT3HDAC1HDAC2

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
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed