SCHEMBL13753136

SCHEMBL13753136

CCC(=O)NC(C)(C)CS

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL929301 0.83 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL13920753 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10312398 0.80 HPGD (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL930303 0.79 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL14756447 0.78 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL930518 0.77 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL878777 0.76 POLB (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5940258 0.76 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL14302929 0.76 MEN1 (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8736888 0.76 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197138-A1 Highly Conducting Solid State Ionics for Electrochemical Systems and Methods of Fabricating Them Using Layer-by-Layer Technology MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-08-06 US disclosed
US-7563623-B2 Biosensor FUJIFILM CORPORATION (JP) 2009-07-21 US disclosed
US-20080038841-A1 nonspecific adsorption is less likely; a large amount of protein can be immobilized by having a hydrogel (polysaccharide) bind to biosensor via a SAM (self-assembled monolayer) compound (aminoalkanethiol) having high water solubility and good performance in terms of supply; surface plasmon resonance FUJIFILM CORPORATION (JP) 2008-02-14 US disclosed