SCHEMBL6273797

SCHEMBL6273797

CC(=O)C(CC(C)Cl)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 1/20 0.32
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
CYP1A2 P05177 1/20 0.31
GABRR1 P24046 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
SCHEMBL9586717 0.81 RNPEP (0.38) RNPEPSLC7A5ALDH1A1TP53SLC1A3
SCHEMBL180035 0.79 RNPEP (0.50) LMNARNPEPSLC7A5ALDH1A1TP53
SCHEMBL13225821 0.78 ENPEP (0.40) RNPEPSLC7A5ALDH1A1TP53SLC1A3
Hydrochloric Acid SCHEMBL27761977 0.77 RNPEP (0.48) LMNARNPEPSLC7A5ALDH1A1TP53
SCHEMBL11131728 0.77 TP53 (0.43) LMNARNPEPSLC7A5ALDH1A1TP53
SCHEMBL11574224 0.75 SLC7A5 (0.32) LMNARNPEPSLC7A5TP53
SCHEMBL1131948 0.74
SCHEMBL8931332 0.74
SCHEMBL9638884 0.72 NAALAD2 (0.46) RNPEPSLC7A5ALDH1A1TP53FOLH1
SCHEMBL11242409 0.72

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-2005107374-A2 A PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID DERIVATIVE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-11-17 WO disclosed