SCHEMBL30032943

SCHEMBL30032943

O=C(O)c1ccc(NC(=O)c2cc(O)cc(C(=O)O)c2O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TERT O14746 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPSE Q9Y251 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL23796757 1.00 KMT2A (0.49) KMT2APKMCYP1A2ALDH1A1AKR1C3
SCHEMBL30030693 0.89 AKR1C3 (0.58) KMT2APKMALDH1A1AKR1C3AKR1C2
SCHEMBL30032280 0.89 PKM (0.63) KMT2APKMCYP1A2ALDH1A1AKR1C3
SCHEMBL23796486 0.89 AKR1C3 (0.58) KMT2APKMALDH1A1AKR1C3AKR1C2
SCHEMBL23796739 0.89 PKM (0.63) KMT2APKMCYP1A2ALDH1A1AKR1C3
SCHEMBL23796590 0.87 PKM (0.65) KMT2APKMCYP1A2ALDH1A1AKR1C3
SCHEMBL30031873 0.87 PKM (0.65) KMT2APKMCYP1A2ALDH1A1AKR1C3
SCHEMBL23796382 0.87 AKR1C3 (0.59) KMT2APKMALDH1A1AKR1C3AKR1C2
SCHEMBL30031163 0.87 AKR1C3 (0.59) KMT2APKMALDH1A1AKR1C3AKR1C2
SCHEMBL23796747 0.84 ALDH1A1 (0.44) KMT2APKMCYP1A2ALDH1A1AKR1C3

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-4118069-B1 PARA-HYDROQUINONE DERIVATIVES AS VEGF, TNF AND/OR IL INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATORY DISEASES OM PHARMA SA (CH) 2024-10-23 — — 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-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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