SCHEMBL29931737

SCHEMBL29931737

COc1ccc(-c2coc3cc(O)c(O)c(O)c3c2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.75
▸ RAB9A P51151 6/20 0.74
▸ SMN1; SMN2 Q16637 6/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ NPC1 O15118 5/20 0.74
▸ CYP2D6 P10635 3/20 0.74
▸ CYP2C9 P11712 3/20 0.74
▸ CYP2C19 P33261 3/20 0.74
▸ NFKB1 P19838 3/20 0.74
▸ NFKB2 Q00653 3/20 0.74
▸ RELA Q04206 3/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ CYP3A4 P08684 7/20 0.73
▸ KDM4E B2RXH2 7/20 0.73
▸ HSD17B10 Q99714 6/20 0.73
▸ ALDH1A1 P00352 6/20 0.73
▸ MAPT P10636 6/20 0.73
▸ HPGD P15428 5/20 0.73
▸ TP53 P04637 5/20 0.73

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
Irisolidone SCHEMBL1974327 0.90 EGFR (0.84) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
Irisolidone SCHEMBL30997344 0.90 EGFR (0.84) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
4',7-Dimethoxy-5-Hydroxygenistein SCHEMBL572108 0.85 RAB9A (1.00) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30525493 0.85 MAPT (0.75) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13279932 0.85 MAPT (0.75) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28740045 0.85 PTPN1 (0.70) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
Biochanin SCHEMBL61258 0.84 RAB9A (1.00) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
Biochanin SCHEMBL29410271 0.84 RAB9A (1.00) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28469105 0.84 ALDH1A1 (0.67) ABCB1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12892701 0.83 RAB9A (0.81) ABCB1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994280-A Isoflavone glycoside compound with osteoporosis resisting effect, and its extraction method and application 湖北大学 2024-11-22 — — CN disclosed
EP-4408415-A1 ISOFLAVONE DERIVATIVES MODULATING MUTANT BESTROPHIN 1 FOR TREATMENT OF BEST1-RELATED RETINOPATHIES Universität Regensburg (DE) 2024-08-07 — — EP disclosed
WO-2023052579-A1 ISOFLAVONE DERIVATIVES MODULATING MUTANT BESTROPHIN 1 FOR TREATMENT OF BEST1-RELATED RETINOPATHIES UNIVERSITÄT REGENSBURG (DE) 2023-04-06 — — WO disclosed
CN-112915096-B Pharmaceutical application of echinocystic acid-28-O-beta-D-glucoside 天津中医药大学 2022-12-20 — — CN disclosed
CN-112972461-B Comprises 5-aldehyde-2, 2'; pharmaceutical use of pharmaceutical composition of 5', 2' -trighiol 天津中医药大学 2022-09-20 — — CN disclosed
Send feedback