SCHEMBL31167385

SCHEMBL31167385

O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 1.00
▸ HPGD P15428 4/20 1.00
▸ QPCT Q16769 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ CYP19A1 P11511 2/20 1.00
▸ MAOA P21397 2/20 1.00
▸ MAOB P27338 2/20 1.00
▸ IP6K2 Q9UHH9 2/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ MPO P05164 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ LCK P06239 2/20 0.82
▸ CA12 O43570 1/20 0.82
▸ AKR1B10 O60218 1/20 0.82
▸ CA1 P00915 1/20 0.82
▸ CA2 P00918 1/20 0.82
▸ CYP1A2 P05177 1/20 0.82
▸ ABCB1 P08183 1/20 0.82

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
SCHEMBL157723 1.00 CYP3A4 (1.00) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
SCHEMBL10812249 0.91 CYP3A4 (0.82) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
SCHEMBL23804650 0.91 MAOB (0.82) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
7-Hydroxyflavone SCHEMBL312148 0.90 CYP19A1 (1.00) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
7-Hydroxyflavone SCHEMBL29678183 0.90 CYP19A1 (1.00) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
Flavone SCHEMBL3515129 0.90 CYP19A1 (0.86) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
7-Hydroxyflavone SCHEMBL10808394 0.89 CYP19A1 (0.97) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
7-Hydroxyflavone SCHEMBL27789687 0.89 CYP19A1 (0.97) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
SCHEMBL12829685 0.88 CYP3A4 (0.79) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1
SCHEMBL26012190 0.88 CYP3A4 (0.78) CYP3A4HPGDQPCTSMN1; SMN2ALDH1A1

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-118615460-B Albumin nanoparticle and preparation method thereof 烟台大学 2025-01-28 — — CN disclosed
CN-118615460-A Albumin nanoparticle and preparation method thereof 烟台大学 2024-09-10 — — CN disclosed
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