SCHEMBL7306648

SCHEMBL7306648

CC(C)(C)OC(=O)N1CCC[C@H]1C(O)CSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KLK7 P49862 1/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HCRTR2 O43614 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UCHL1 P09936 2/20 0.40
RIPK1 Q13546 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NPC1 O15118 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
SCHEMBL7300593 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL7296648 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL6535959 0.83 KLK7 (0.50) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL28387244 0.83 KLK7 (0.50) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL25339275 0.83 KLK7 (0.50) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL25339274 0.83 KLK7 (0.50) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL30057132 0.83 KLK7 (0.50) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7304770 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7297691 0.81 KLK7 (0.46) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL18336855 0.81 KLK7 (0.46) ALDH1A1MEN1KMT2ATSHRLMNA

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