SCHEMBL28805872

SCHEMBL28805872

O=CC(CCl)c1c(O)cc(O)cc1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL27619569 0.74 ESR1 (0.40) MEN1CYP3A4KMT2AHPGD
SCHEMBL20380857 0.70 EGFR (0.35) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL28805870 0.69 CYP3A4 (0.41) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL27586582 0.69 ESR1 (0.39) CYP3A4PTGS1DRD3
SCHEMBL27815420 0.69 CA1 (0.46) —
SCHEMBL27916550 0.68 ERN1 (0.34) —
SCHEMBL6439294 0.63 MAPT (0.36) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL7079260 0.62 HSD17B10 (0.35) MEN1CYP3A4KMT2AHPGD
SCHEMBL15653587 0.61 HIF1A (0.33) MEN1CYP3A4KMT2AHPGD
SCHEMBL10404684 0.60 TYR (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103360352-B Total synthesis method for 4-methoxy-2,6-dihydroxy-2-benzyl-3(2H)-benzofuranone INST MEDICINAL PLANT DEV CAMS 2015-07-08 — — CN disclosed
CN-103360352-A Total synthesis method for 4-methoxy-2,6-dihydroxy-2-benzyl-3(2H)-benzofuranone INST MEDICINAL PLANT DEV CAMS 2013-10-23 — — CN disclosed
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