SCHEMBL30032015

SCHEMBL30032015

COC(=O)c1cc(OC)cc(CO)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL23796582 1.00 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30030799 0.85 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796499 0.85 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796848 0.85 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30031802 0.85 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796414 0.84 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30121095 0.84 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19612138 0.82 KDM4E (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30810313 0.82 KDM4E (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796710 0.80 KDM4E (0.39) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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 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