SCHEMBL9533799

SCHEMBL9533799

CC(CN1CCOCC1)OC=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 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
SCHEMBL5902462 0.82 HSD17B10 (0.40) L3MBTL1MEN1KMT2AUSP2NPSR1
SCHEMBL13178012 0.81 HSD17B10 (0.43) L3MBTL1MEN1KMT2AUSP2NPSR1
SCHEMBL7283743 0.81 USP2 (0.47) ALDH1A1KDM4ENPC1L3MBTL1MEN1
SCHEMBL27632715 0.78 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL296557 0.78 USP2 (0.53) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL23205826 0.76 USP2 (0.50) ALDH1A1KDM4ENPC1L3MBTL1MEN1
SCHEMBL12125079 0.76 USP2 (0.50) ALDH1A1KDM4ENPC1L3MBTL1MEN1
SCHEMBL16382337 0.75 USP2 (0.48) ALDH1A1KDM4ENPC1L3MBTL1MEN1
SCHEMBL7812231 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1L3MBTL1MEN1
SCHEMBL9533796 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1L3MBTL1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
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