SCHEMBL5601708

SCHEMBL5601708

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 3/20 0.64
ACMSD Q8TDX5 2/20 0.64
TTR P02766 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HIF1A Q16665 2/20 0.64
LMNA P02545 2/20 0.64
USP2 O75604 1/20 0.64
DHFR P00374 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
ALB P02768 1/20 0.64
HMGB1 P09429 1/20 0.64
CXCL12 P48061 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
CYP3A4 P08684 3/20 0.42
KDR P35968 2/20 0.42

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
SCHEMBL5603737 0.91 ACMSD (0.54) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Diflunisal SCHEMBL5603898 0.89 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10ACMSD
SCHEMBL5603732 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Diflunisal SCHEMBL5603727 0.84 ACMSD (0.78) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Salsalate SCHEMBL360114 0.82 ACMSD (0.70) ALDH1A1KDM4EHPGDHSD17B10ACMSD
SCHEMBL831732 0.81 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MEN1
Diflunisal SCHEMBL4337 0.79 ACMSD (1.00) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Diflunisal SCHEMBL30509654 0.79 ACMSD (1.00) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Diflunisal SCHEMBL29367380 0.79 ACMSD (1.00) ALDH1A1KDM4EHPGDHSD17B10ACMSD
Diflunisal SCHEMBL3848363 0.79 ACMSD (1.00) ALDH1A1KDM4EHPGDHSD17B10ACMSD

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 6 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
US-6395720-B1 ANTICANCER AGENTS KREUTZ WERNER (DE) 2002-05-28 US disclosed