SCHEMBL6967103

SCHEMBL6967103

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.51
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
TYR P14679 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
PIN1 Q13526 1/20 0.43
ITGB3 P05106 8/20 0.43
ITGA2B P08514 7/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ITGAV P06756 1/20 0.42
FFAR1 O14842 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
Benzofuran SCHEMBL6973042 0.94 CASP1 (0.48) CASP1CTSLCTSBCTSSTYR
SCHEMBL7231335 0.90 CASP1 (0.47) CASP1CTSLCTSBCTSSITGB3
SCHEMBL7394440 0.83 PIN1 (0.60) CTSLCTSBCTSSTYRPIN1
SCHEMBL6973369 0.82 EPHX2 (0.40) CASP1PIN1ITGB3ITGA2BALDH1A1
SCHEMBL6967105 0.81 CASP1 (0.50) CASP1CTSLCTSBCTSSTYR
SCHEMBL5396482 0.81 TYR (0.53) CTSLCTSBCTSSTYRITGB3
SCHEMBL5396475 0.81 TYR (0.53) CTSLCTSBCTSSTYRITGB3
SCHEMBL6964129 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL5416162 0.79 TYR (0.55) CTSLCTSBCTSSTYRITGB3
SCHEMBL5416167 0.79 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 3 patents. 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
EP-1133491-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-09-19 EP disclosed
WO-2000031070-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-06-02 WO disclosed