SCHEMBL15865985

SCHEMBL15865985

CC(C[C@@H](N)Cc1ccc(NC(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.55
SIRT2 Q8IXJ6 7/20 0.54
SIRT1 Q96EB6 6/20 0.54
ECE1 P42892 1/20 0.53
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
SIRT5 Q9NXA8 2/20 0.52
SIRT3 Q9NTG7 3/20 0.52
KDM1A O60341 3/20 0.51
MAOA P21397 2/20 0.51
KDM1B Q8NB78 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51

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 0.84 SIRT2 (0.69) MMP3SIRT2SIRT1ECE1SIRT5
SCHEMBL6287961 0.82 SIRT2 (0.60) MMP3SIRT2SIRT1SIRT5SIRT3
SCHEMBL7322118 0.81 SIRT2 (0.62) SIRT2SIRT1ECE1ITGB3ITGA2B
SCHEMBL7322113 0.81 SIRT2 (0.62) SIRT2SIRT1ECE1ITGB3ITGA2B
2S,4R-4-Methylglutamate SCHEMBL15519374 0.81 CPB1 (0.57) SIRT2SIRT1ECE1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7982992 0.80 SIRT2 (0.61) SIRT2SIRT1ECE1ITGB3ITGA2B
SCHEMBL13411034 0.80 SSTR3 (0.55) MMP3SIRT2SIRT1ECE1KDM1A
SCHEMBL13410990 0.80 SSTR3 (0.55) MMP3SIRT2SIRT1ECE1KDM1A
SCHEMBL13411016 0.80 SSTR3 (0.55) MMP3SIRT2SIRT1ECE1KDM1A
SCHEMBL13411008 0.80 SSTR3 (0.55) MMP3SIRT2SIRT1ECE1KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802632-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-08-12 US disclosed
US-8772543-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 US disclosed