SCHEMBL7306680

SCHEMBL7306680

COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
STS P08842 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL8998365 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL8998354 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL7295644 0.92 HDAC8 (0.51) MEN1KMT2AHRH2HRH1KDM4E
SCHEMBL7295642 0.92 HDAC8 (0.51) MEN1KMT2AHRH2HRH1KDM4E
SCHEMBL9096533 0.90 KMT2A (0.45) MEN1KMT2AHRH2HRH1GPR119
SCHEMBL9094788 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL7297691 0.90 KLK7 (0.46) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL18336855 0.90 KLK7 (0.46) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL9096522 0.86 KLK7 (0.51) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7300593 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536737-A Compound having prolyl endopeptidase inhibitory activity and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 1996-07-16 US disclosed
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0670309-A1 COMPOUND WITH PROLYL ENDOPEPTIDASE INHIBITOR ACTIVITY AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 1995-09-06 EP disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed