SCHEMBL6973369

SCHEMBL6973369

COC(=O)CCc1ccc2oc(CC(NC(=O)OCC34CC5CC(CC(C5)C3)C4)C(=O)O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
LMNA P02545 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
ITGA2B P08514 3/20 0.38
ALDH1A1 P00352 1/20 0.36
PIN1 Q13526 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
FFAR1 O14842 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7231808 0.91 EPHX2 (0.36) EPHX2LMNAITGB3ITGAVITGA2B
SCHEMBL6967103 0.82 CASP1 (0.51) ITGB3ITGAVITGA2BALDH1A1PIN1
SCHEMBL6972652 0.82 ITGB3 (0.61) LMNAITGB3ITGAVITGA2B
Benzofuran SCHEMBL6973042 0.77 CASP1 (0.48) ITGB3ITGAVITGA2BPIN1CASP1
SCHEMBL7224008 0.75 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL6977330 0.73 SLC7A5 (0.44) LMNAITGB3ITGA2BFFAR1
SCHEMBL7231335 0.73 CASP1 (0.47) EPHX2LMNAITGB3ITGA2BALDH1A1
SCHEMBL6973854 0.72 CA12 (0.37) LMNAALDH1A1PIN1KMT2AMEN1
SCHEMBL6978544 0.71 ALDH1A1 (0.52) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL4834857 0.68 ITGB3 (0.46) LMNAITGB3ITGAVITGA2BITGB1

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