SCHEMBL7299012

SCHEMBL7299012

CC(C)[C@H](NC(=O)C1CNCCS1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CPA1 P15085 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G5 P39877 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FPR2 P25090 1/20 0.30

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
SCHEMBL8460912 0.76 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TP53NPSR1CPA1
SCHEMBL2918264 0.74 CHRNB2 (0.40)
SCHEMBL25256890 0.74 TP53 (0.48) SMN1; SMN2ALDH1A1TP53NPSR1LMNA
SCHEMBL29790214 0.74 TP53 (0.48) SMN1; SMN2ALDH1A1TP53NPSR1LMNA
SCHEMBL29789541 0.73 TP53 (0.49) SMN1; SMN2ALDH1A1TP53NPSR1LMNA
SCHEMBL27994566 0.72 HDAC8 (0.30)
SCHEMBL7598637 0.71 SSTR4 (0.50) SMN1; SMN2ALDH1A1TP53
SCHEMBL29789522 0.70 TP53 (0.54) SMN1; SMN2ALDH1A1TP53NPSR1
SCHEMBL1847750 0.69
SCHEMBL337230 0.69

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
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed