SCHEMBL8528212

SCHEMBL8528212

CCOC(=O)CNC(=O)NC(C)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.56
PPID Q08752 2/20 0.44
HTT P42858 2/20 0.43
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPIG Q13427 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2034587 0.84 ACACB (0.51) ACACBPPIDHTTPPIBPPIA
SCHEMBL4426853 0.79 PPID (0.55) PPIDHTTPPIBPPIAPPIG
SCHEMBL8138307 0.78 PPID (0.69) PPIDHTTPPIBPPIAPPIG
SCHEMBL8528205 0.76 PPID (0.52) ACACBPPIDHTTPPIBPPIA
SCHEMBL12505582 0.75 PHGDH (0.51) ACACBHTTGPR139MEN1KMT2A
SCHEMBL3124464 0.75 PHGDH (0.51) ACACBHTTGPR139MEN1KMT2A
SCHEMBL3105575 0.75 PHGDH (0.51) ACACBHTTGPR139MEN1KMT2A
SCHEMBL21274649 0.74 HTT (0.49) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6262477 0.73 HTT (0.50) HTTKDM4EALDH1A1
SCHEMBL16166309 0.73 POLB (0.57) PPIDHTTMEN1KMT2AKDM4E

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed