SCHEMBL7676506

SCHEMBL7676506

COC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCKAR P32238 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
CCKBR P32239 2/20 0.40

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
SCHEMBL8004412 1.00 HPGD (0.43) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7673756 1.00 HPGD (0.43) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL8420087 0.90 CA1 (0.46) SMN1; SMN2GAA
SCHEMBL8420082 0.90 CA1 (0.46) SMN1; SMN2GAA
SCHEMBL7680186 0.88 CASP3 (0.44) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7681041 0.88 CASP3 (0.44) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7679816 0.88 TAS1R3 (0.49) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7975055 0.88 TAS1R3 (0.49) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7679822 0.88 TAS1R3 (0.49) HPGDSMN1; SMN2MAPTNOS3NOS1
SCHEMBL7671377 0.86 TAS1R3 (0.51) HPGDSMN1; SMN2MAPTNOS3NOS1

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
US-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US disclosed