SCHEMBL2471870

SCHEMBL2471870

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.40
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 4/20 0.39
TPSAB1 Q15661 1/20 0.35
PIN1 Q13526 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2471875 1.00 OPRK1 (0.40) OPRK1HDAC6HDAC1TPSAB1PIN1
SCHEMBL19059441 0.86 HDAC6 (0.49) HDAC6HDAC1MEN1KMT2A
SCHEMBL9847306 0.84 MEN1 (0.34) HDAC6HDAC1MEN1KMT2A
SCHEMBL29002722 0.83 HDAC6 (0.42) HDAC6HDAC1MEN1ALDH1A1LMNA
SCHEMBL12329492 0.82 OPRK1 (0.49) OPRK1HDAC6HDAC1TPSAB1MEN1
SCHEMBL12198404 0.82 OPRK1 (0.48) OPRK1MEN1ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL3794525 0.81 HDAC6 (0.41) HDAC6HDAC1TPSAB1MEN1ALDH1A1
SCHEMBL5808669 0.81 HDAC6 (0.39) HDAC6HDAC1ALDH1A1
SCHEMBL5808668 0.81 HDAC6 (0.39) HDAC6HDAC1ALDH1A1
SCHEMBL19451083 0.81 HDAC6 (0.48) HDAC6HDAC1TPSAB1MEN1KMT2A

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
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed