SCHEMBL28929133

SCHEMBL28929133

Cc1cc(C(=O)O)c2cc(-c3ccc(Br)cc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.48
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TNKS O95271 1/20 0.43
▸ EPRS1 P07814 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL28655613 0.86 MAOB (0.50) MAOBNPC1RAB9ATNKSGABRP
SCHEMBL28670379 0.85 ADORA3 (0.56) MAOBNPC1RAB9ATNKSRXFP1
SCHEMBL28660360 0.82 TNKS (0.54) MAOBNPC1RAB9ATNKSKDM4E
SCHEMBL28660357 0.80 EIF4A1 (0.52) EIF4A1
SCHEMBL28663810 0.79 ALDH1A1 (0.64) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL28655615 0.77 DHODH (0.53) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL28654878 0.77 CA12 (0.49) MAOBNPC1RAB9ATNKSKDM4E
SCHEMBL28677812 0.76 CA12 (0.42) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL19929823 0.75 ADORA3 (0.54) MAOBNPC1RAB9ATNKSRXFP1
SCHEMBL27557477 0.74 RXFP1 (0.50) NPC1EPRS1RXFP1KDM4EGLA

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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