SCHEMBL9545947

SCHEMBL9545947

COC(=O)OC1(C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL10337980 0.84 TSHR (0.34) POLBKMT2AKDM4EHPGDHSD17B10
SCHEMBL4234394 0.84 POLB (0.37) POLBKMT2AKDM4EMEN1ATM
SCHEMBL5984477 0.78 HTT (0.40) POLBKMT2AKDM4EHSD17B10MEN1
SCHEMBL6903843 0.76 POLB (0.36) POLBHSD17B10ATMMAPTTSHR
SCHEMBL11453583 0.74 HTT (0.41) POLBKMT2AKDM4EHSD17B10MEN1
SCHEMBL9331791 0.74 CES2 (0.40) KMT2AKDM4EMEN1
SCHEMBL8380021 0.74 CES2 (0.40) KMT2AKDM4EMEN1
SCHEMBL19746578 0.73 HTT (0.44) POLBKMT2AKDM4EHSD17B10MEN1
SCHEMBL8970777 0.73 MAPT (0.43) POLBKMT2AKDM4EHSD17B10MEN1
SCHEMBL10489544 0.73 FABP7 (0.39) KMT2AMEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025631-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-12-23 WO disclosed