SCHEMBL28577424

SCHEMBL28577424

CCCC(O)CCOS(=O)(=O)c1ccc(C)cc1.[Fe]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
STAT3 P40763 1/20 0.39
CA1 P00915 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
PSMD10 O75832 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4303888 0.98 CA12 (0.44) CA12CA9CA2STAT3CA1
SCHEMBL5477848 0.98 CA12 (0.44) CA12CA9CA2STAT3CA1
SCHEMBL5474740 0.98 CA12 (0.44) CA12CA9CA2STAT3CA1
SCHEMBL10792302 0.89 PLA2G2C (0.42) CA12CA9CA2STAT3CA1
SCHEMBL5989974 0.88 STAT3 (0.41) CA12CA9CA2STAT3CA1
SCHEMBL2903626 0.87 PLA2G2C (0.44) CA12CA9CA2STAT3CA1
SCHEMBL9465707 0.87 PLA2G2C (0.44) CA12CA9CA2STAT3CA1
SCHEMBL3940922 0.87 STAT3 (0.40) CA12CA9STAT3CA1ALDH1A1
SCHEMBL21239935 0.87 ALDH1A1 (0.41) CA12CA9CA2STAT3CA1
SCHEMBL3940918 0.87 STAT3 (0.40) CA12CA9STAT3CA1ALDH1A1

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-113024421-B Purification method of p-toluenesulfonic acid iron solution 惠州市宙邦化工有限公司 2022-06-28 CN disclosed
CN-113024421-A Purification method of p-toluenesulfonic acid iron solution 惠州市宙邦化工有限公司 2021-06-25 CN disclosed