SCHEMBL6973099

SCHEMBL6973099

COC(=O)CCc1ccc2oc(CC(NS(=O)(=O)N(Cc3ccccc3)C(=O)OC(C)(C)C)C(=O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 3/20 0.35
PIN1 Q13526 1/20 0.35
FFAR1 O14842 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
ACE P12821 1/20 0.34
STAT5B P51692 1/20 0.34
PSMB5 P28074 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
SCHEMBL7224783 0.95 TDP1 (0.37) TDP1PTPN1FFAR1ALDH1A1LMNA
SCHEMBL7659011 0.82 PTPN1 (0.36) TDP1PTPN1ALDH1A1LMNATP53
SCHEMBL6973854 0.81 CA12 (0.37) PTPN1PIN1FFAR1ALDH1A1LMNA
SCHEMBL7222557 0.79 ITGB3 (0.38)
SCHEMBL7224793 0.79 TDP1 (0.36) TDP1PTPN1ALDH1A1LMNATP53
SCHEMBL6978544 0.77 ALDH1A1 (0.52) TDP1ALDH1A1MAPTADAMTS4
SCHEMBL7231335 0.76 CASP1 (0.47) ALDH1A1LMNAHPGDHTTACE
SCHEMBL7230946 0.75 CA12 (0.38) PTPN1FFAR1ALDH1A1LMNATP53
SCHEMBL6967103 0.74 CASP1 (0.51) PIN1FFAR1ALDH1A1
SCHEMBL7223443 0.73 ALDH1A1 (0.41) FFAR1ALDH1A1MAPTNPSR1ADAMTS4

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