SCHEMBL6977330

SCHEMBL6977330

COC(=O)CCc1ccc2oc(CC(N)C(=O)O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
FFAR1 O14842 4/20 0.41
PTPN1 P18031 2/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PSMB5 P28074 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL7228562 0.86 LMNA (0.37) LMNATP53FFAR1PTPN1CA12
SCHEMBL7395989 0.81 LMNA (0.44) LMNATP53FFAR1PTPN1CA12
SCHEMBL6967103 0.78 CASP1 (0.51) FFAR1ITGB3ITGA2BALOX15
SCHEMBL7542381 0.77 SLC7A5 (0.57) SLC7A5LMNAPTPN1ITGB3ITGA2B
SCHEMBL6977333 0.76 SLC7A5 (0.44) SLC7A5LMNATP53PTPN1KDM4E
SCHEMBL6978544 0.75 ALDH1A1 (0.52) ITGB3ITGA2BKDM4ETDP1
SCHEMBL6973854 0.75 CA12 (0.37) LMNATP53FFAR1PTPN1CA12
Benzofuran SCHEMBL6973042 0.73 CASP1 (0.48) PSMB5ITGB3ITGA2B
SCHEMBL6973369 0.73 EPHX2 (0.40) LMNAFFAR1ITGB3ITGA2B
SCHEMBL7231335 0.73 CASP1 (0.47) LMNAITGB3ITGA2BKDM4EALOX15

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