SCHEMBL6973854

SCHEMBL6973854

COC(=O)CCc1ccc2oc(CC(NS(=O)(=O)NC(=O)OC(C)(C)C)C(=O)O)cc2c1

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 3/20 0.37
CA2 P00918 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACE P12821 1/20 0.35
FFAR1 O14842 3/20 0.35

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
SCHEMBL7230946 0.93 CA12 (0.38) CA12CA14CA1CA7PTPN1
SCHEMBL6973856 0.82 CA12 (0.37) CA12CA14CA1CA7PTPN1
SCHEMBL6973099 0.81 TDP1 (0.37) PTPN1LMNATP53ALDH1A1HPGD
SCHEMBL6978544 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7660987 0.80 PTPN1 (0.38) CA12CA14CA1CA7PTPN1
SCHEMBL7223443 0.77 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1FFAR1MEN1
SCHEMBL7231335 0.77 CASP1 (0.47) LMNAALDH1A1HPGDHTTACE
SCHEMBL7228562 0.77 LMNA (0.37) CA12CA14CA7PTPN1CA2
SCHEMBL7224783 0.76 TDP1 (0.37) PTPN1LMNATP53ALDH1A1HPGD
SCHEMBL6977330 0.75 SLC7A5 (0.44) CA12CA14CA7PTPN1CA2

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