SCHEMBL9533796

SCHEMBL9533796

CC(CN1CCOCC1)O[C]=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 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
SCHEMBL5902458 0.82 POLB (0.40) L3MBTL1USP2NPSR1TSHRMEN1
SCHEMBL7283734 0.81 USP2 (0.47) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL23205826 0.76 USP2 (0.50) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL12125079 0.76 USP2 (0.50) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL16382337 0.75 USP2 (0.48) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL17158348 0.74 ALDH1A1 (0.47) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL9533799 0.74 ALDH1A1 (0.47) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL8328670 0.73 USP2 (0.47) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL18281989 0.73 ALDH1A1 (0.46) ALDH1A1NPC1L3MBTL1USP2KDM4E
SCHEMBL6836054 0.73 NPC1 (0.58) ALDH1A1NPC1L3MBTL1KDM4EALOX12

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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed