SCHEMBL3379157

SCHEMBL3379157

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CPA1 P15085 2/20 0.38
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC1A1 P43005 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FPR2 P25090 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 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
SCHEMBL3379156 1.00 RNPEP (0.41) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL3379103 0.94 RNPEP (0.38) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL3379112 0.94 RNPEP (0.38) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
Phosphonic Acid SCHEMBL3379130 0.92 RNPEP (0.36) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
Phosphonic Acid SCHEMBL3379134 0.92 RNPEP (0.36) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL3381425 0.82 RNPEP (0.44) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL3381426 0.82 RNPEP (0.44) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL3380090 0.77
SCHEMBL1191879 0.77 RNPEP (0.40) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL1191884 0.77 RNPEP (0.40) RNPEPSLC7A5CPA1ALDH1A1SLC1A3

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