SCHEMBL30031230

SCHEMBL30031230

O=C(O)c1ccc(NC(=O)c2cc(O)c(C(=O)O)cc2O)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ SIRT6 Q8N6T7 1/20 0.55
▸ SNCA P37840 1/20 0.54
▸ PYGL P06737 2/20 0.54
▸ AKR1C3 P42330 2/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL23796823 1.00 PKM (0.71) PKMKMT2ASIRT6SNCAPYGL
SCHEMBL30031499 0.98 PKM (0.73) PKMKMT2ASIRT6SNCAPYGL
SCHEMBL23796613 0.98 PKM (0.73) PKMKMT2ASIRT6SNCAPYGL
SCHEMBL23796704 0.91 PKM (0.59) PKMKMT2ASIRT6SNCAAKR1C3
SCHEMBL23796624 0.89 AKR1C3 (0.64) PKMKMT2ASIRT6SNCAAKR1C3
SCHEMBL23796439 0.89 AKR1C3 (0.64) PKMKMT2ASIRT6SNCAAKR1C3
SCHEMBL30032740 0.89 AKR1C3 (0.64) PKMKMT2ASIRT6SNCAAKR1C3
SCHEMBL2130995 0.86 ALDH1A1 (0.67) PKMKMT2ASIRT6PYGLAKR1C3
SCHEMBL30772317 0.86 KMT2A (0.87) PKMKMT2ASIRT6SNCAPYGL
SCHEMBL27296254 0.86 KMT2A (0.87) PKMKMT2ASIRT6SNCAPYGL

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
CN-115279730-B 2, 5-Or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group, useful as medicaments OM药物公司 2025-02-14 — — CN claimed
EP-4118069-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM Pharma SA (CH) 2023-01-18 — — EP claimed
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 — — CN claimed
Send feedback