SCHEMBL8593264

SCHEMBL8593264

COc1ccc(CN(CC(=O)O)C(C)=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LDHA P00338 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL14798818 0.82 MTNR1A (0.49) ALDH1A1MAPTMEN1KMT2ALDHA
SCHEMBL14805302 0.82 KDM4E (0.60) ALDH1A1LDHAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9416658 0.79 MEN1 (0.61) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27394200 0.77 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALDHA
SCHEMBL18586090 0.76 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL9416555 0.75 TSHR (0.54) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9781398 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALDHA
SCHEMBL11489148 0.75 KDM4E (0.55) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL2972871 0.74 LDHA (0.60) ALDH1A1MAPTMEN1KMT2ALDHA
SCHEMBL11378089 0.74 LMNA (0.55) ALDH1A1MEN1KMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10136994-A None JP disclosed
JP-H10136994-A PRODUCTION OF L-VERATRYLGLYCINE SANKYO CO LTD 1998-05-26 JP disclosed
US-3996288-A Method of producing aldehydes by hydroformylation AJINOMOTO CO., INC. (JA) 1976-12-07 US disclosed