SCHEMBL6973856

SCHEMBL6973856

COC(=O)CCc1ccc2c(CC(NS(=O)(=O)NC(=O)OC(C)(C)C)C(=O)O)occ2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
PTPN1 P18031 4/20 0.36
CA2 P00918 1/20 0.35
ACE P12821 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSB P07858 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
SCHEMBL7230948 0.93 CA12 (0.37) CA12CA14CA1CA7PTPN1
SCHEMBL7660987 0.84 PTPN1 (0.38) CA12CA14CA1CA7PTPN1
SCHEMBL6978547 0.82 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1ITGB3ITGA2B
SCHEMBL6973854 0.82 CA12 (0.37) CA12CA14CA1CA7PTPN1
SCHEMBL7223447 0.78 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1
SCHEMBL7599894 0.77 PTPN1 (0.33) PTPN1ALDH1A1MAPTLMNATP53
SCHEMBL7231340 0.77 CASP1 (0.47) ACEALDH1A1LMNAHPGDHTT
SCHEMBL7224793 0.76 TDP1 (0.36) CA12CA14CA1PTPN1CA2
SCHEMBL6977333 0.76 SLC7A5 (0.44) PTPN1MAPTLMNATP53PKM
SCHEMBL6967105 0.76 CASP1 (0.50) ALDH1A1CTSBCTSSCTSKITGA4

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