SCHEMBL2184040

SCHEMBL2184040

CCCC[C@H](NN[C@@H](CCCCN)C(=O)O)C(=O)O.NCc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.47
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
FOLH1 Q04609 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
MME P08473 1/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL29529476 0.80 SLC6A5 (0.54) TLR2MMP2MMP9FOLH1SLC6A5
SCHEMBL30901213 0.80 SLC6A5 (0.54) TLR2MMP2MMP9FOLH1SLC6A5
SCHEMBL6152838 0.76 MMP2 (0.45) TLR2MMP2MMP9FOLH1
SCHEMBL5840486 0.76 MMP2 (0.45) TLR2MMP2MMP9FOLH1
SCHEMBL8664220 0.76 MMP2 (0.45) TLR2MMP2MMP9FOLH1
SCHEMBL2778592 0.73 TLR2 (0.43) TLR2MMP2MMP9FOLH1ALDH1A1
Phthalic Acid SCHEMBL28116915 0.73 ALDH1A1 (0.54) ALDH1A1CA12CA9
SCHEMBL29448214 0.72 CPB2 (0.53) TLR2MMP2MMP9
SCHEMBL136079 0.72 FOLH1 (0.59) FOLH1ALDH1A1CA2CA12CA1
Benzene SCHEMBL8597142 0.72 FOLH1 (0.59) FOLH1ALDH1A1CA2CA12CA1

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-20130183241-A1 PEPTIDES THAT HOME TO TUMOR LYMPHATIC VASCULATURE AND METHODS OF USING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-18 US disclosed
US-8329859-B2 Peptides that home to tumor lymphatic vasculature and methods of using same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-12-11 US disclosed
US-20110165083-A1 Peptides that home to tumor lymphatic vasculature and methods of using same BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-07-07 US disclosed
US-7671021-B2 Peptides that home to tumor lymphatic vasculature and methods of using same BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-02 US disclosed
US-20070149444-A1 Peptides that home to tumor lymphatic vasculature and methods of using same THE BURNHAM INSTITUTE (US) 2007-06-28 US disclosed