SCHEMBL12199029

SCHEMBL12199029

CCN[C@H](Cc1c[nH]cn1)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.34
HDAC1 Q13547 2/20 0.34
POLB P06746 1/20 0.34
NLRP3 Q96P20 1/20 0.33
SIRT2 Q8IXJ6 10/20 0.33
LCK P06239 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12329477 1.00 HDAC6 (0.34) HDAC6HDAC1POLBNLRP3SIRT2
SCHEMBL4361738 0.89 POLB (0.38) HDAC6HDAC1POLBSIRT2
SCHEMBL29103272 0.87 HDAC6 (0.36) HDAC6HDAC1POLBNLRP3SIRT2
SCHEMBL9847306 0.86 MEN1 (0.34) HDAC6HDAC1SIRT2ATM
SCHEMBL201190 0.85 CPB2 (0.42)
SCHEMBL2059164 0.85 HDAC6 (0.36) HDAC6HDAC1POLBNLRP3SIRT2
SCHEMBL12765185 0.85 HDAC6 (0.36) HDAC6HDAC1POLBNLRP3SIRT2
SCHEMBL201189 0.85 CPB2 (0.42)
SCHEMBL17484674 0.85 CPB2 (0.32)
Hydrochloric Acid SCHEMBL9876601 0.84 HDAC6 (0.35) HDAC6HDAC1NLRP3SIRT2ATM

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed