SCHEMBL3378637

SCHEMBL3378637

CSCC[C@@H](C(=O)O)N(Cl)Br.NC(=O)CC[C@@H](C(=O)O)N(Cl)Br

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.39
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
FOLH1 Q04609 1/20 0.34
FNTA P49354 2/20 0.31
FNTB P49356 2/20 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
SCHEMBL3378632 1.00 RNPEP (0.39) RNPEPALOX15BLMPMP22KMT2A
SCHEMBL3379508 0.89 RNPEP (0.47) RNPEPALOX15FOLH1FNTAFNTB
SCHEMBL3379504 0.89 RNPEP (0.47) RNPEPALOX15FOLH1FNTAFNTB
SCHEMBL3382374 0.87 KMT2A (0.47) ALOX15BLMPMP22KMT2A
SCHEMBL3382371 0.87 KMT2A (0.47) ALOX15BLMPMP22KMT2A
SCHEMBL3378628 0.83 ALDH1A1 (0.32) ALOX15
SCHEMBL3378625 0.80 GRM8 (0.38) RNPEPALOX15BLMPMP22KMT2A
SCHEMBL3381561 0.75 RNPEP (0.50) RNPEPALOX15FOLH1FNTAFNTB
SCHEMBL3381183 0.75 RNPEP (0.50) RNPEPFOLH1FNTAFNTB
SCHEMBL3381558 0.75 RNPEP (0.50) RNPEPALOX15FOLH1FNTAFNTB

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 claimed