SCHEMBL28440660

SCHEMBL28440660

Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.57
PLEC Q15149 1/20 0.57
ALDH1A1 P00352 5/20 0.54
HTT P42858 4/20 0.54
KDM4E B2RXH2 5/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SHBG P04278 1/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
SLC26A3 P40879 3/20 0.49
JAK2 O60674 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MPI P34949 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL12123490 0.88 MAOA (0.52) POLBPLECGAACTDSP1SLC26A3
SCHEMBL29528063 0.79 SHBG (0.67) POLBPLECALDH1A1HTTKDM4E
SCHEMBL7860300 0.75 MEN1 (0.56) POLBPLECALDH1A1HTTKDM4E
SCHEMBL19386750 0.73 MEN1 (0.47) POLBPLECALDH1A1HTTKDM4E
SCHEMBL29528003 0.72 ALDH1A1 (0.61) POLBPLECALDH1A1HTTKDM4E
SCHEMBL27976394 0.70 CTSL (0.64) POLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27976393 0.70 CTSL (0.64) POLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17665564 0.70 CTSL (0.64) POLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL16215928 0.70 ATM (0.69) POLBALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL13168601 0.70 ATM (0.69) POLBALDH1A1SMN1; SMN2HSD17B10MAPK1

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
CN-107467027-B Plant virus resisting medicament 中国检验检疫科学研究院 2020-08-25 CN disclosed