SCHEMBL30030693

SCHEMBL30030693

O=C(O)c1cc(NC(=O)c2cc(O)cc(C(=O)O)c2O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.58
▸ AKR1C2 P52895 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58
▸ KDM4C Q9H3R0 2/20 0.55
▸ MAPT P10636 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ PKM P14618 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ALOX5 P09917 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 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
SCHEMBL23796486 1.00 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1KDM4CMAPT
SCHEMBL23796382 0.98 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1KDM4CMAPT
SCHEMBL30031163 0.98 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1KDM4CMAPT
SCHEMBL30032943 0.89 KMT2A (0.49) AKR1C3AKR1C2AKR1C1KDM4CMAPT
SCHEMBL23796757 0.89 KMT2A (0.49) AKR1C3AKR1C2AKR1C1KDM4CMAPT
SCHEMBL23796739 0.88 PKM (0.63) AKR1C3AKR1C2AKR1C1MAPTPKM
SCHEMBL30032280 0.88 PKM (0.63) AKR1C3AKR1C2AKR1C1MAPTPKM
SCHEMBL30031873 0.86 PKM (0.65) AKR1C3AKR1C2AKR1C1MAPTPKM
SCHEMBL23796590 0.86 PKM (0.65) AKR1C3AKR1C2AKR1C1MAPTPKM
SCHEMBL23796516 0.85 EGFR (0.50) AKR1C3AKR1C2AKR1C1KDM4CMAPT

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
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
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
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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