SCHEMBL20510040

SCHEMBL20510040

O=C(O)c1cccc2c1OCC2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.73
PSMB5 P28074 1/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
LIG1 P18858 1/20 0.41
HNF4A P41235 1/20 0.41
ALOX15 P16050 1/20 0.40
TYMS P04818 1/20 0.40
MYC P01106 1/20 0.40
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36

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
SCHEMBL19278957 0.84 PARP1 (1.00) PARP1PSMB5ALDH1A1MAPTHSD17B10
SCHEMBL6836766 0.83 PARP1 (0.51) PARP1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL436000 0.76 PARP1 (0.44) PARP1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL11094419 0.76 PARP1 (0.49) PARP1ALDH1A1MAPTHSD17B10ALOX15
SCHEMBL5534964 0.76 PSMB5 (0.61) PARP1PSMB5ALDH1A1MAPTLMNA
3-Coumaranone SCHEMBL28076841 0.74 MYC (0.47) PARP1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5534959 0.73 PARP1 (0.56) PARP1PSMB5ALDH1A1MAPTHSD17B10
SCHEMBL5449123 0.73 ALDH1A1 (0.44) PARP1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18331030 0.72 PARP1 (0.54) PARP1PSMB5ALDH1A1MAPTHSD17B10
SCHEMBL3976344 0.72 PARP1 (0.54) PARP1PSMB5ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2020-02-05 EP disclosed
WO-2018172852-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2018-09-27 WO disclosed