SCHEMBL6567178

SCHEMBL6567178

CCCCOC(=O)C[C@H](NSc1ccc(Br)cc1N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOD1 Q9Y239 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33

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
SCHEMBL6567171 0.77 PRNP (0.44) SLC6A4SLC6A2ATMITGB3ITGA2B
SCHEMBL6567175 0.69 SLC6A4 (0.39) SLC6A4SLC6A2ATMLMNAALDH1A1
SCHEMBL16137777 0.66 LMNA (0.45) ATMLMNAALDH1A1AKR1C2AKR1C1
SCHEMBL5720982 0.66 SLC2A1 (0.43) ATMLMNAALDH1A1HSD17B10MEN1
SCHEMBL5720891 0.65 LMNA (0.40) ATMLMNAALDH1A1HSD17B10AKR1C2
SCHEMBL4966326 0.65 LMNA (0.48) LMNAALDH1A1ITGB3ITGA2BMEN1
SCHEMBL19027086 0.64 KMT2A (0.43) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL28568015 0.63 NOD1 (0.59) ITGB3ITGA2BMEN1KMT2ANOD1
SCHEMBL4726420 0.63 CTSL (0.56) ALDH1A1ITGB3ITGA2BCYP3A4TSHR
SCHEMBL12062829 0.63 CTSL (0.56) ALDH1A1ITGB3ITGA2BCYP3A4TSHR

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-1434870-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2004-07-07 EP disclosed
WO-2003029477-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed