SCHEMBL7300593

SCHEMBL7300593

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DPP4 P27487 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
STS P08842 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39

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
SCHEMBL7306648 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL7296648 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL7306680 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ADPP4STS
SCHEMBL8998365 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ADPP4STS
SCHEMBL8998354 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ADPP4STS
SCHEMBL25988648 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASTSL3MBTL1
SCHEMBL7304770 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL7295642 0.77 HDAC8 (0.51) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL7295644 0.77 HDAC8 (0.51) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL23545835 0.77 HSD17B10 (0.45) ALDH1A1MEN1KMT2AL3MBTL1NPC1

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