SCHEMBL9820096

SCHEMBL9820096

COC(=O)Oc1cc(=O)c(OC)c2oc3ccccc3nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MAPT P10636 8/20 0.40
HSD17B10 Q99714 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
AGPAT2 O15120 1/20 0.38
STAT6 P42226 1/20 0.38
HTT P42858 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
B-D-Galactose SCHEMBL9820042 0.86 SLC5A2 (0.38) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL9819930 0.86 CA12 (0.41) MAPTHSD17B10SMN1; SMN2HPGDTP53
SCHEMBL9819970 0.78 MEN1 (0.42) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL9819887 0.73 MAPT (0.41) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL13065744 0.68 ABCG2 (0.48) MAPTHSD17B10SMN1; SMN2HPGDTHRB
SCHEMBL16075040 0.68 MAPT (0.47) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL16075009 0.68 MAPT (0.47) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL19409424 0.67 ABCG2 (0.49) PPARGNCOA2NCOA1NCOA3MAPT
SCHEMBL13021510 0.66 SLC16A3 (0.38) MAPTHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL11075359 0.66 KDM4E (0.60) MAPTHSD17B10SMN1; SMN2HPGDNPSR1

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
EP-0156347-B1 GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed