SCHEMBL14601752

SCHEMBL14601752

CC(CS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ELANE P08246 1/20 0.44
ACHE P22303 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL4911216 0.86 CA1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4908120 0.86 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4908115 0.86 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4911221 0.86 CA1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4904204 0.86 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4910931 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4910936 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13707773 0.80 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2017698 0.80 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4914303 0.80 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702508-A Lithium ion battery having anode comprising blend of intercalation-type anode material and conversion-type anode material 新罗纳米技术有限公司 2023-02-14 CN disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed