SCHEMBL3958711

SCHEMBL3958711

O=C(NCCN(CCO)C(=O)[C@H](CCCN(Cc1ccccc1)C(=O)O)NC(=O)C1CCCNC1)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
F10 P00742 1/20 0.37
FOLH1 Q04609 2/20 0.37
PTGER4 P35408 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
ITGAV P06756 1/20 0.34
HTT P42858 1/20 0.34

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
Hydrochloric Acid SCHEMBL5063568 0.99 ITGB3 (0.37) ITGB3ITGA2BF10FOLH1PTGER4
SCHEMBL5059296 0.79 ITGB3 (0.52) ITGB3ITGA2BFOLH1MEN1KMT2A
SCHEMBL3956989 0.76 SLC1A3 (0.47) FOLH1HTT
Hydrochloric Acid SCHEMBL5063371 0.76 SLC1A3 (0.47) FOLH1HTT
SCHEMBL3957623 0.75 ITGB3 (0.59) ITGB3ITGA2BKLK7KLK5
SCHEMBL3951637 0.73 MAPT (0.51) ITGB3ITGA2BFOLH1KLK7KLK5
SCHEMBL13997588 0.73 PADI1 (0.33) KMT2A
SCHEMBL19665701 0.71 HDAC3 (0.47) ITGB3ITGA2B
SCHEMBL17646236 0.71 HDAC3 (0.47) ITGB3ITGA2B
SCHEMBL17646251 0.71 HDAC3 (0.47) ITGB3ITGA2B

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-1866291-B1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO KG (DE) 2009-07-15 EP disclosed