SCHEMBL30032740

SCHEMBL30032740

O=C(O)c1cc(NC(=O)c2cc(O)c(C(=O)Nc3ccc(O)c(C(=O)O)c3)cc2O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.64
▸ AKR1C2 P52895 1/20 0.64
▸ AKR1C1 Q04828 1/20 0.64
▸ PKM P14618 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ KMT2A Q03164 2/20 0.57
▸ KDM4C Q9H3R0 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ P2RX1 P51575 3/20 0.56
▸ SIRT6 Q8N6T7 2/20 0.55
▸ SNCA P37840 1/20 0.54
▸ TMPRSS4 Q9NRS4 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.52
▸ P2RX4 Q99571 2/20 0.51

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
SCHEMBL23796624 1.00 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796439 1.00 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23817098 0.92 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796704 0.91 PKM (0.59) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL30031230 0.89 PKM (0.71) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796823 0.89 PKM (0.71) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL30031499 0.87 PKM (0.73) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796613 0.87 PKM (0.73) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796662 0.87 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PKMMAPT
SCHEMBL23796368 0.87 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PKMMAPT

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 5 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
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
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 disclosed
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 disclosed
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 disclosed
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