SCHEMBL28668413

SCHEMBL28668413

Cc1cc(C(=O)O)c2c(-c3ccccc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TTR P02766 1/20 0.41
▸ PTPN22 Q9Y2R2 3/20 0.41
▸ PTPRC P08575 2/20 0.41
▸ PTPN9 P43378 2/20 0.41
▸ PTPN11 Q06124 2/20 0.41
▸ DHODH Q02127 4/20 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
SCHEMBL30023487 0.88 DHODH (0.45) MAPTSMN1; SMN2DHODHPTGS2ABCB1
SCHEMBL30022975 0.88 PTGS2 (0.41) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL30022887 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL28659460 0.85 MEN1 (0.49) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL30023062 0.84 MAPT (0.46) ALDH1A1MAPTKDM4EHPGDPTPN22
SCHEMBL28659222 0.84 MEN1 (0.48) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL28680692 0.84 MEN1 (0.48) MEN1KMT2AHSP90AA1MAPTPTPN22
SCHEMBL28659185 0.84 MEN1 (0.48) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL28675671 0.84 MEN1 (0.62) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL30020913 0.83 MAPT (0.48) MEN1KMT2AALDH1A1MAPTKDM4E

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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