SCHEMBL7295642

SCHEMBL7295642

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
PREP P48147 1/20 0.45
HSD17B10 Q99714 1/20 0.44
UCHL1 P09936 2/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL7295644 1.00 HDAC8 (0.51) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL8998354 0.92 ALDH1A1 (0.45) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL7306680 0.92 ALDH1A1 (0.45) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL8998365 0.92 ALDH1A1 (0.45) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL9097302 0.91 ALDH1A1 (0.48) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL9097666 0.91 HRH2 (0.48) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL9097298 0.91 ALDH1A1 (0.48) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL9097662 0.91 HRH2 (0.48) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL7306599 0.91 PREP (0.50) HDAC8MEN1KMT2AHRH2HRH1
SCHEMBL7306610 0.91 PREP (0.50) HDAC8MEN1KMT2AHRH2HRH1

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-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed