Benzofuran

Benzofuran

SCHEMBL6973042

COC(=O)CCc1ccc2oc(CC(NC(=O)OCc3ccccc3)C(=O)O)cc2c1.c1ccc2occc2c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.48
PIN1 Q13526 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
TYR P14679 1/20 0.41
MAOB P27338 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ITGB3 P05106 7/20 0.40
ITGA2B P08514 6/20 0.40
F2 P00734 1/20 0.39
TACR1 P25103 1/20 0.39
ITGAV P06756 1/20 0.39
PSMB5 P28074 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
SCHEMBL6967103 0.94 CASP1 (0.51) CASP1PIN1CTSLCTSBCTSS
SCHEMBL7231335 0.85 CASP1 (0.47) CASP1CTSLCTSBCTSSITGB3
Benzofuran SCHEMBL6973046 0.85 CASP1 (0.47) CASP1CTSLCTSBCTSSTYR
SCHEMBL7394440 0.82 PIN1 (0.60) PIN1CTSLCTSBCTSSTYR
SCHEMBL6967105 0.78 CASP1 (0.50) CASP1CTSLCTSBCTSSTYR
SCHEMBL6973369 0.77 EPHX2 (0.40) CASP1PIN1ITGB3ITGA2BITGAV
SCHEMBL5396475 0.76 TYR (0.53) CTSLCTSBCTSSTYRITGB3
SCHEMBL5396482 0.76 TYR (0.53) CTSLCTSBCTSSTYRITGB3
SCHEMBL6964129 0.74 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL5416162 0.74 TYR (0.55) CTSLCTSBCTSSTYRITGB3

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
EP-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP disclosed