SCHEMBL9754514

SCHEMBL9754514

O=Cc1c2oc(C(=O)O)cc2cc2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CSNK2A2 P19784 3/20 0.47
CSNK2B P67870 3/20 0.47
CSNK2A3 Q8NEV1 3/20 0.47
USP2 O75604 1/20 0.47
PTGS1 P23219 1/20 0.47
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIM1 P11309 4/20 0.41
TTR P02766 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL9754603 0.83 ALDH1A1 (0.45) KDM4EGLAMAPTTSHRHSD17B10
SCHEMBL9754506 0.79 CSNK2A1 (0.49) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3
SCHEMBL9778972 0.76 KDM4E (0.45) KDM4EHPGDGLAMAPTHSD17B10
SCHEMBL9843531 0.76 MGAM (0.41) KDM4EHPGDGLAMAPTHSD17B10
SCHEMBL9754508 0.71 KDM4E (0.52) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3
SCHEMBL9754456 0.71 PIM1 (0.63) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3
SCHEMBL9102343 0.68 ERN1 (0.51) KDM4EHPGDGLAMAPTHSD17B10
SCHEMBL2895883 0.67 HPGD (0.64) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3
SCHEMBL11372717 0.67 KDM4E (0.47) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3
SCHEMBL11591196 0.66 GAA (0.56) CSNK2A1KDM4ECSNK2A2CSNK2BCSNK2A3

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
WO-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed