SCHEMBL28561935

SCHEMBL28561935

O=C(O)OS(=O)(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CA12 O43570 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 0.37

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
SCHEMBL7633011 0.86 CA1 (0.44) CA1CA2ALOX15MMP1MMP2
SCHEMBL29088547 0.82 CA1 (0.53) CA1CA2ALOX15MMP1MMP2
SCHEMBL4583233 0.80 CYP1A2 (0.45) CA1CA2ALOX15MMP1MMP2
SCHEMBL1286026 0.80 MEN1 (0.47) CA1CA2ALOX15MMP1MMP2
SCHEMBL347237 0.80 ALOX15 (0.48) CA1CA2ALOX15MMP1MMP2
SCHEMBL29435078 0.80 ALOX15 (0.48) CA1CA2ALOX15MMP1MMP2
Water SCHEMBL7623289 0.79 CYP1A2 (0.44) CA1CA2ALOX15MMP1MMP2
SCHEMBL30842657 0.78 ALOX15 (0.47) CA1CA2ALOX15MMP1MMP2
SCHEMBL60211 0.78 ALOX15 (0.47) CA1CA2ALOX15MMP1MMP2
Ammonia Solution, Strong SCHEMBL8767667 0.77 ALOX15 (0.46) CA1CA2ALOX15MMP1MMP2

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-112876127-A Sodium-glucan modified polycarboxylic acid high-performance water reducing agent and preparation process thereof 福州宏通建材有限公司 2021-06-01 — — CN disclosed
Send feedback