SCHEMBL29618998

SCHEMBL29618998

COc1ccc2c(c1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.57
▸ MGAM O43451 1/20 0.54
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTPN1 P18031 3/20 0.44
▸ HSD17B1 P14061 1/20 0.40

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
SCHEMBL4779879 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL25824259 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL29682883 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL29480609 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL29618999 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL29682579 1.00 PTGS1 (0.57) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL29480585 0.87 MAPT (0.60) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL30554025 0.85 PTGS1 (0.55) PTGS1MAOAMAOBCYP3A4MAPT
SCHEMBL21168205 0.80 MAOA (0.64) PTGS1MGAMMAOAMAOBCYP3A4
SCHEMBL31237248 0.80 MAOA (0.64) PTGS1MGAMMAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118576581-A Application of pterocarpan compounds and pharmaceutical composition 澳门科技大学 2024-09-03 — — CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 — — CN disclosed
CN-115990177-A Application of astragalus root pterocarpan glycoside in preparing medicament for treating kidney disease 澳门科技大学 2023-04-21 — — CN disclosed
CN-114533722-A Pharmaceutical composition for treating depression 遵义医科大学珠海校区 2022-05-27 — — CN disclosed
CN-114522172-A Pharmaceutical composition for preventing and treating breast cancer 遵义医科大学珠海校区 2022-05-24 — — CN disclosed
CN-114522172-A Pharmaceutical composition for preventing and treating breast cancer 遵义医科大学珠海校区 2022-05-24 — — CN disclosed
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