SCHEMBL30020913

SCHEMBL30020913

COC(=O)c1ccc(-c2oc3cc(C)cc(C(=O)O)c3c2-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ ATM Q13315 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCL9 O00512 2/20 0.40
▸ CTNNB1 P35222 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ TNKS O95271 1/20 0.39

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
SCHEMBL30022887 0.85 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL28668413 0.83 MEN1 (0.47) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30022975 0.83 PTGS2 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30023487 0.83 DHODH (0.45) MAPTSMN1; SMN2
SCHEMBL30022919 0.81 PTPN22 (0.50) —
SCHEMBL30023283 0.81 KDM4E (0.45) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL28677868 0.81 KDM4E (0.45) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30023247 0.81 KDM4E (0.45) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL28680766 0.81 KDM4E (0.45) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30023062 0.80 MAPT (0.46) MAPTALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 — — CN disclosed
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