SCHEMBL7752280

SCHEMBL7752280

O=C(O)c1cccc(-c2ccccc2S(=O)(=O)OS(=O)(=O)c2ccccc2-c2cccc(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HNF4A P41235 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALOX15 P16050 2/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 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
SCHEMBL7633011 0.86 CA1 (0.44) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL4915950 0.85 ALDH1A1 (0.47) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL6249607 0.83 ALDH1A1 (0.46) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL28512844 0.81 CA1 (0.58) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL6941870 0.78 ALDH1A1 (0.59) ALDH1A1CA1CA2L3MBTL1LMNA
SCHEMBL5321232 0.78 ALDH1A1 (0.59) ALDH1A1CA1CA2L3MBTL1LMNA
SCHEMBL5321419 0.78 ALDH1A1 (0.59) ALDH1A1CA1CA2L3MBTL1LMNA
SCHEMBL63603 0.78 HSD17B10 (0.58) ALDH1A1CA1CA2MMP2L3MBTL1
SCHEMBL6995289 0.78 HNF4A (0.42) ALDH1A1CA1CA2L3MBTL1LMNA
SCHEMBL809021 0.77 FOLH1 (0.61) ALDH1A1CA1CA2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed