SCHEMBL7296648

SCHEMBL7296648

CC(C)(C)OC(=O)N1CCC[C@H]1C(O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
CASR P41180 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7300593 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ADPP4
SCHEMBL7309254 0.77 PREP (0.59) LMNAMAPTKMT2AL3MBTL1NPSR1
SCHEMBL7309249 0.77 PREP (0.59) LMNAMAPTKMT2AL3MBTL1NPSR1
SCHEMBL7304770 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL25279026 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL28829166 0.74 HSD17B10 (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL30069139 0.74 HSD17B10 (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL23545835 0.74 HSD17B10 (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL28606669 0.73 NPC1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A

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