SCHEMBL6977333

SCHEMBL6977333

COC(=O)CCc1ccc2c(CC(N)C(=O)O)occ2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.44
PTPN1 P18031 2/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
TPH1 P17752 4/20 0.36
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC1A1 P43005 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL7599894 0.86 PTPN1 (0.33) SLC7A5PTPN1KDM4ESIRT2NPC1
SCHEMBL6967105 0.78 CASP1 (0.50) ALOX15
SCHEMBL7228564 0.78 SLC7A5 (0.41) SLC7A5PTPN1TPH1PTGS1KDM4E
SCHEMBL7542381 0.76 SLC7A5 (0.57) SLC7A5PTPN1TPH1PTGS1KDM4E
SCHEMBL6977330 0.76 SLC7A5 (0.44) SLC7A5PTPN1SLC7A11TPH1PTGS1
SCHEMBL6978547 0.76 ALDH1A1 (0.52) KDM4ETDP1MAPT
SCHEMBL6973856 0.76 CA12 (0.37) PTPN1HSD17B10PKMLMNATP53
Benzofuran SCHEMBL6973046 0.74 CASP1 (0.47) ALOX15
SCHEMBL7231340 0.73 CASP1 (0.47) KDM4EALOX15LMNA
SCHEMBL7230948 0.72 CA12 (0.37) PTPN1HSD17B10PKMLMNATP53

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