SCHEMBL9533484

SCHEMBL9533484

COC(=O)CCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL29663487 0.81 BACE1 (0.40) TSHRGLANPSR1BACE1MAPT
SCHEMBL7995598 0.79 HSD17B10 (0.52) TSHRGLANPSR1BACE1MAPT
SCHEMBL20826897 0.79 KDM4E (0.50) TSHRGLANPSR1BACE1MAPT
SCHEMBL7238832 0.78 ALDH1A1 (0.42) TSHRGLANPSR1BACE1MAPT
SCHEMBL3821085 0.77 BACE1 (0.40) TSHRGLANPSR1BACE1MAPT
SCHEMBL31603 0.76 BACE1 (0.44) TSHRGLANPSR1BACE1MAPT
SCHEMBL28927137 0.76 LMNA (0.54) TSHRGLANPSR1BACE1MAPT
SCHEMBL794166 0.75 BACE1 (0.42) TSHRGLANPSR1BACE1MAPT
SCHEMBL9532368 0.75 BACE1 (0.38) TSHRGLANPSR1BACE1MAPT
SCHEMBL7243740 0.75 PTPN1 (0.49) TSHRBACE1MAPTALDH1A1LMNA

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