SCHEMBL3379504

SCHEMBL3379504

CSCCC(C(=O)O)N(Cl)Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.47
FOLH1 Q04609 2/20 0.37
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.32
USP2 O75604 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3379508 1.00 RNPEP (0.47) RNPEPFOLH1FNTAFNTBLMNA
SCHEMBL3378632 0.89 RNPEP (0.39) RNPEPFOLH1FNTAFNTBALOX15
SCHEMBL3378637 0.89 RNPEP (0.39) RNPEPFOLH1FNTAFNTBALOX15
SCHEMBL3381561 0.84 RNPEP (0.50) RNPEPFOLH1FNTAFNTBLMNA
SCHEMBL3381185 0.84 RNPEP (0.50) RNPEPFOLH1FNTAFNTBLMNA
SCHEMBL3381558 0.84 RNPEP (0.50) RNPEPFOLH1FNTAFNTBLMNA
SCHEMBL3381183 0.84 RNPEP (0.50) RNPEPFOLH1FNTAFNTBLMNA
SCHEMBL3378625 0.84 GRM8 (0.38) RNPEPFOLH1ALOX15
SCHEMBL3379191 0.78 CHRM1 (0.50) MAPK1NPSR1TSHR
SCHEMBL197984 0.78 RNPEP (0.52) RNPEPFOLH1FNTAFNTBLMNA

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