SCHEMBL9532368

SCHEMBL9532368

CSCCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL20826897 0.80 KDM4E (0.50) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL7995598 0.80 HSD17B10 (0.52) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL29663487 0.79 BACE1 (0.40) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL31603 0.77 BACE1 (0.44) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL28927137 0.77 LMNA (0.54) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL31440186 0.76 KDM4E (0.42) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL7243740 0.76 PTPN1 (0.49) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL9533484 0.75 TSHR (0.43) BACE1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL3789174 0.75 PTPN1 (0.51) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL3782935 0.75 PTPN1 (0.51) KDM4EALDH1A1POLBMAPTTSHR

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