SCHEMBL30032280

SCHEMBL30032280

O=C(O)c1ccc(NC(=O)c2cc(O)cc(C(=O)O)c2O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ SIRT6 Q8N6T7 1/20 0.50
▸ PYGL P06737 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ TERT O14746 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ SNCA P37840 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45

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
SCHEMBL23796739 1.00 PKM (0.63) PKMKMT2ASIRT6PYGLCA12
SCHEMBL23796590 0.98 PKM (0.65) PKMKMT2ASIRT6PYGLCA12
SCHEMBL30031873 0.98 PKM (0.65) PKMKMT2ASIRT6PYGLCA12
SCHEMBL30032943 0.89 KMT2A (0.49) PKMKMT2AALDH1A1TSHRTERT
SCHEMBL23796757 0.89 KMT2A (0.49) PKMKMT2AALDH1A1TSHRTERT
SCHEMBL23796486 0.88 AKR1C3 (0.58) PKMKMT2ASIRT6CA12ALDH1A1
SCHEMBL30030693 0.88 AKR1C3 (0.58) PKMKMT2ASIRT6CA12ALDH1A1
SCHEMBL23796382 0.86 AKR1C3 (0.59) PKMKMT2ASIRT6CA12ALDH1A1
SCHEMBL30031163 0.86 AKR1C3 (0.59) PKMKMT2ASIRT6CA12ALDH1A1
SCHEMBL23796613 0.85 PKM (0.73) PKMKMT2ASIRT6PYGLCA12

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
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