SCHEMBL11532121

SCHEMBL11532121

CCOC(=O)C(=CNC1CC(C)(C)NC(C)(C)C1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.45
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
DHODH Q02127 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
SCHEMBL11529923 0.93 ALDH1A1 (0.44) GLO1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL11531594 0.84 POLB (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11530276 0.79 CYP2C9 (0.43) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11533251 0.78 L3MBTL1 (0.40) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL8944648 0.74 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL10375705 0.73 CYP2D6 (0.53) GLO1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10553212 0.71 NPSR1 (0.36) GLO1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL28118734 0.70 CYP2D6 (0.46) GLO1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10991852 0.70 KMT2A (0.52) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL21863420 0.70 GLO1 (0.43) GLO1ALDH1A1MEN1KMT2ANPSR1

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
US-4140673-A REACTING 4-AMINO-PIPERIDINES WITH ENOLIC ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed