SCHEMBL7268397

SCHEMBL7268397

CN(CC(=O)O)C(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL8009812 0.88 NPC1 (0.53) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL21107863 0.84 ALDH1A1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL15937185 0.81 BCHE (0.45) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL7509877 0.81 HTT (0.60) L3MBTL1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL21069881 0.81 ALDH1A1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL21070425 0.81 ALDH1A1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL1177836 0.80 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL7448281 0.80 RAB9A (0.47) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL316882 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL27493267 0.79 ALDH1A1 (0.61) NPC1RAB9AALDH1A1L3MBTL1MAPK1

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
US-5158970-A Prolylendopeplidase inhibitors; antiamnesia KABUSHIKI KAISHA YAKULT HONSHA (JP) 1992-10-27 US disclosed
EP-0384341-A2 New proline derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1990-08-29 EP disclosed