SCHEMBL7127119

SCHEMBL7127119

O=C(O)c1ccc(C(=O)O)c2c(S(=O)(=O)O)cccc12.[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.43
TTR P02766 2/20 0.43
CHAT P28329 1/20 0.43
SNCA P37840 1/20 0.43
NR4A1 P22736 2/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL3128659 0.98 TYMS (0.47) TYMSPOLBL3MBTL1MEN1KMT2A
SCHEMBL11422723 0.85 MEN1 (0.43) TYMSPOLBL3MBTL1MEN1KMT2A
SCHEMBL28479395 0.81 TYMS (0.45) TYMSPOLBL3MBTL1MEN1KMT2A
SCHEMBL3129169 0.81 AURKA (0.50) TYMSPOLBL3MBTL1MEN1KMT2A
SCHEMBL7517756 0.79 AURKA (0.49) TYMSPOLBL3MBTL1MEN1KMT2A
SCHEMBL19566922 0.79 ALDH1A1 (0.51) POLBMEN1KMT2AMAPTCYP1A2
SCHEMBL7517752 0.79 TTR (0.55) CYP1A2TTRNR4A1NR4A2NR4A3
SCHEMBL29093176 0.78 ALDH1A1 (0.44) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL7127114 0.78 TTR (0.42) TYMSPOLBCYP1A2TTRCHAT
SCHEMBL4709529 0.77 CYP1A2 (0.61) CYP1A2TTRNR4A1CYP2D6KDM4E

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-0669358-B1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD (JP) 2003-11-19 EP disclosed
US-5593778-A FIBERS, FABRICS, LACTIC ACID, POLYETHYLENE GLYCOL, A DICARBOXYPHENYL SULFONATE MONOMER KANEBO, LTD. (JP) 1997-01-14 US disclosed
EP-0669358-A1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD. (JP) 1995-08-30 EP disclosed