SCHEMBL28053324

SCHEMBL28053324

CCC(=O)c1cccc(-c2ccccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
BCL2L1 Q07817 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
PTPN5 P54829 1/20 0.43
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27598108 0.86 HSP90AB1 (0.51) MAPTL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL23041052 0.84 L3MBTL1 (0.50) MAPTL3MBTL1SMN1; SMN2ERCC5FEN1
SCHEMBL14241162 0.84 NR1H4 (0.53) MAPTL3MBTL1SMN1; SMN2ERCC5FEN1
SCHEMBL7194494 0.83 HPGD (0.46) MAPTL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL8085526 0.83 L3MBTL1 (0.49) MAPTL3MBTL1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27540917 0.83 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL14241374 0.83 KAT6A (0.50) MAPTL3MBTL1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL9679486 0.81 SMN1; SMN2 (0.65) MAPTL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL24454658 0.81 ALDH1A1 (0.50) MAPTSMN1; SMN2HPGDALDH1A1BCL2L1
SCHEMBL6005391 0.81 L3MBTL1 (0.69) MAPTL3MBTL1SMN1; SMN2HPGDERCC5

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-105377253-A Anti-viral compounds, pharmaceutical compositions, and methods of use thereof KINETA INC 2016-03-02 CN disclosed