SCHEMBL5603737

SCHEMBL5603737

Nc1ccc(C(=O)OC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c(OC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.54
TTR P02766 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
DHFR P00374 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALB P02768 1/20 0.54
HMGB1 P09429 1/20 0.54
CXCL12 P48061 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
FEN1 P39748 7/20 0.36
KLKB1 P03952 3/20 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
SCHEMBL5601708 0.91 ALDH1A1 (0.64) ACMSDTTRLMNAKDM4EMEN1
Diflunisal SCHEMBL5603898 0.83 KDM4E (0.55) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL5603732 0.80 ALDH1A1 (0.57) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL5602868 0.78 ACMSD (0.63) ACMSDTTRLMNAKDM4EMEN1
Diflunisal SCHEMBL5603727 0.77 ACMSD (0.78) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL5603573 0.77 ACMSD (0.61) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL11411640 0.76 ACMSD (0.67) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL410760 0.75 CA1 (0.69) ACMSDTTRLMNAKDM4EMEN1
Salsalate SCHEMBL360114 0.73 ACMSD (0.70) ACMSDTTRLMNAKDM4EMEN1
SCHEMBL11235859 0.73 ACMSD (0.75) ACMSDTTRLMNAKDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183269-B2 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2007-02-27 US disclosed
US-20040147493-A1 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2004-07-29 US disclosed
US-6727235-B2 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2004-04-27 US disclosed
US-20030166621-A1 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2003-09-04 US disclosed
US-6525038-B1 Synergistic composition of 5-(2,4-difluorophenyl) salicylic acid and 2-hydroxy-4-aminobenzoic acid KREUTZ WERNER (DE) 2003-02-25 US disclosed