SCHEMBL6474772

SCHEMBL6474772

COc1c(C(=O)O)ccc(O)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 1/20 0.58
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
CSNK2A1 P68400 1/20 0.46
MYC P01106 2/20 0.45
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
ELANE P08246 1/20 0.42
MMP9 P14780 1/20 0.42
DUSP3 P51452 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GRM1 Q13255 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41

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
SCHEMBL2059405 0.85 TDP1 (0.53) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL419245 0.84 TDP1 (0.56) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL1438720 0.82 TDP1 (0.59) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL1919502 0.82 TDP1 (0.50) TDP1MAPTMYCHTTALDH1A1
SCHEMBL12683255 0.82 TDP1 (0.70) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL1505827 0.81 TDP1 (0.61) TDP1MAPTPKMHTTALDH1A1
SCHEMBL4309406 0.81 MAPT (0.62) TDP1MAPTMYCPKMHTT
SCHEMBL30463104 0.79 SELL (0.64) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL565454 0.79 SELL (0.64) TDP1MAPTSELLSELPCSNK2A1
SCHEMBL288168 0.79 TDP1 (0.47) TDP1MAPTMYCHTTALDH1A1

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
CN-112656954-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-16 CN disclosed
CN-112618732-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-09 CN disclosed
CN-105813656-B Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-01-15 CN disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed