SCHEMBL3381561

SCHEMBL3381561

CSCC[C@@H](C(=O)O)N(Br)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.50
FOLH1 Q04609 2/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL3381558 1.00 RNPEP (0.50) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL3379504 0.84 RNPEP (0.47) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL3379508 0.84 RNPEP (0.47) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL2872370 0.81 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL2872371 0.81 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL197985 0.81 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL197984 0.81 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL3381183 0.79 RNPEP (0.50) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL3381185 0.79 RNPEP (0.50) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL2977179 0.79 RNPEP (0.50) RNPEPFOLH1LMNAALDH1A1FNTA

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed