SCHEMBL5603573

SCHEMBL5603573

O=C(OC(=O)c1c(O)cc(O)cc1O)c1cc(-c2ccc(F)cc2F)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.61
TTR P02766 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
DHFR P00374 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 1/20 0.61
ALB P02768 1/20 0.61
HMGB1 P09429 1/20 0.61
HPGD P15428 1/20 0.61
CXCL12 P48061 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 1/20 0.36
GAA P10253 1/20 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
SCHEMBL5602868 0.91 ACMSD (0.63) ACMSDTTRKDM4EMEN1USP2
Diflunisal SCHEMBL5603557 0.82 ACMSD (0.82) ACMSDTTRKDM4EMEN1USP2
SCHEMBL410760 0.80 CA1 (0.69) ACMSDTTRKDM4EMEN1USP2
SCHEMBL5603564 0.80 TTR (0.61) ACMSDTTRKDM4EMEN1USP2
SCHEMBL11212542 0.78 KDM4E (0.59) ACMSDTTRKDM4EMEN1USP2
SCHEMBL3891330 0.78 ALDH1A1 (0.61) ACMSDTTRKDM4EMEN1USP2
SCHEMBL9893394 0.77 CA1 (0.64) ACMSDTTRKDM4EMEN1USP2
SCHEMBL1818476 0.77 CA1 (0.64) ACMSDTTRKDM4EMEN1USP2
SCHEMBL10889717 0.77 ACMSD (0.64) ACMSDTTRKDM4EMEN1USP2
SCHEMBL9893460 0.77 ACMSD (0.64) ACMSDTTRKDM4EMEN1USP2

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