SCHEMBL7211366

SCHEMBL7211366

CCC(=O)NN[C@@H](CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
ACE P12821 1/20 0.44
FOLH1 Q04609 2/20 0.42
NOD1 Q9Y239 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
MME P08473 2/20 0.33
CYP2C9 P11712 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
CA12 O43570 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
SCHEMBL7211369 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1804545 0.79 KDM4E (0.63) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL22657901 0.79 KDM4E (0.63) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7279513 0.79 KDM4E (0.63) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7279508 0.79 KDM4E (0.63) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1804546 0.79 KDM4E (0.63) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL29972290 0.78 ALDH1A1 (0.50) MAPTFOLH1MME
SCHEMBL29596626 0.78 KDM4E (0.58) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7179431 0.75 KDM4E (0.47) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL30539533 0.75 KDM4E (0.47) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-1370571-A2 METHODS AND APPARATUS FOR GEL-FREE QUALITATIVE AND QUANTITATIVE PROTEOME ANALYSIS, AND USES THEREFOR Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) 2003-12-17 EP disclosed
WO-2002077016-A2 METHODS AND APPARATUS FOR GEL-FREE QUALITATIVE AND QUANTITATIVE PROTEOME ANALYSIS, AND USES THEREFORE VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2002-10-03 WO disclosed