SCHEMBL9609029

SCHEMBL9609029

NC(=O)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.52
CYP2C19 P33261 1/20 0.52
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PREP P48147 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL9640948 1.00 POLB (0.60) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL7042009 1.00 POLB (0.60) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL10746321 1.00 POLB (0.60) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL71528 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL28269 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL7016734 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL29878 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL71529 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL31037789 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL7489292 0.89 POLB (0.62) POLBSMN1; SMN2CYP2C19PSEN1PSEN2

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
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed