SCHEMBL28659204

SCHEMBL28659204

COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)oc3cc(OC)cc(C(=O)O)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ SLC22A2 O15244 1/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL30022568 1.00 GPR35 (0.48) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL30022955 0.95 KDM4E (0.50) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL28654875 0.95 KDM4E (0.50) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL28654877 0.87 ADORA3 (0.52) SMN1; SMN2ABCG2KDM4EALDH1A1POLB
SCHEMBL30022887 0.85 ALDH1A1 (0.50) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL19934782 0.84 ALDH1A1 (0.51) SMN1; SMN2ABCG2KDM4EALDH1A1POLB
SCHEMBL30023352 0.84 RXRA (0.38) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL19929844 0.83 ALDH1A1 (0.46) GPR35SMN1; SMN2ABCG2KDM4EALDH1A1
SCHEMBL30081078 0.82 ABCG2 (0.47) ABCG2KDM4EALDH1A1HPGDSLC22A2
SCHEMBL28873061 0.82 ABCG2 (0.47) ABCG2KDM4EALDH1A1HPGDSLC22A2

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-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 — — CN disclosed
CN-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2021-12-07 — — CN disclosed
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