SCHEMBL8345284

SCHEMBL8345284

COc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.54
FAAH O00519 5/20 0.51
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.44
ALPL P05186 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
KMT2A Q03164 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
SCHEMBL8345080 0.86 MEN1 (0.52) FAAHTRPV1KMT2A
SCHEMBL8344329 0.84 KMT2A (0.50) FAAHTRPV1KMT2A
SCHEMBL8345466 0.84 FAAH (0.47) ALDH1A1FAAHTRPV1KMT2A
SCHEMBL8345090 0.83 FAAH (0.49) ALDH1A1FAAHTRPV1SMN1; SMN2KMT2A
SCHEMBL8347812 0.83 FAAH (0.47) ALDH1A1FAAHTRPV1KMT2A
SCHEMBL8346749 0.80 GHSR (0.47) ALDH1A1FAAHTRPV1PDK1PDK2
SCHEMBL29991357 0.78 KMT2A (0.59) L3MBTL1ALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL729221 0.78 KMT2A (0.59) L3MBTL1ALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL25384603 0.78 FAAH (0.62) ALDH1A1FAAHTRPV1
SCHEMBL31075550 0.77 FAAH (0.65) ALDH1A1FAAHTRPV1

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed