SCHEMBL8528205

SCHEMBL8528205

CCOC(=O)CNC(=O)NCCc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPID Q08752 4/20 0.52
PPIB P23284 1/20 0.52
PPIA P62937 1/20 0.52
PPIG Q13427 1/20 0.52
CNR1 P21554 1/20 0.52
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ACACB O00763 3/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL8138307 0.87 PPID (0.69) PPIDPPIBPPIAPPIGPOLB
SCHEMBL15832153 0.85 NPC1 (0.60) PPIDPPIBPPIAPPIGCNR1
SCHEMBL2034584 0.84 PPID (0.57) PPIDPPIBPPIAPPIGGLA
SCHEMBL2037313 0.83 PPID (0.75) PPIDPPIBPPIAPPIGGLA
SCHEMBL4426853 0.80 PPID (0.55) PPIDPPIBPPIAPPIGCNR1
SCHEMBL24943133 0.78 CNR1 (0.62) CNR1POLBMAPTACACBRAB9A
SCHEMBL4506493 0.78 CYP4F2 (0.66) MAPTRAB9AHTT
SCHEMBL579391 0.77 KMT2A (0.65) CNR1POLBMAPTACACBGLA
SCHEMBL6163414 0.77 LOXL2 (0.49) PPIDPPIBPPIAPPIGMAPT
SCHEMBL8528212 0.76 ACACB (0.56) PPIDPPIBPPIAPPIGACACB

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