SCHEMBL607807

SCHEMBL607807

NCCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HPGDS O60760 1/20 0.51
▸ ERAP2 Q6P179 4/20 0.51
▸ LNPEP Q9UIQ6 4/20 0.51
▸ ERAP1 Q9NZ08 2/20 0.51
▸ ALB P02768 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ CTSB P07858 1/20 0.48
▸ C3AR1 Q16581 1/20 0.48
▸ OGG1 O15527 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL607806 1.00 CA2 (0.53) CA2CA1CA12CA9HPGDS
SCHEMBL9716715 0.87 ERAP2 (0.55) CA2CA1CA12CA9HPGDS
SCHEMBL7034236 0.87 LNPEP (0.60) CA2CA1CA12CA9HPGDS
SCHEMBL7034241 0.87 LNPEP (0.60) CA2CA1CA12CA9HPGDS
SCHEMBL9716710 0.87 ERAP2 (0.55) CA2CA1CA12CA9HPGDS
SCHEMBL607886 0.87 ITGB3 (0.60) CA2CA1CA12CA9HPGDS
SCHEMBL607885 0.87 ITGB3 (0.60) CA2CA1CA12CA9HPGDS
SCHEMBL24518200 0.86 CA2 (0.55) CA2CA1CA12CA9HPGDS
SCHEMBL1767664 0.86 CA2 (0.55) CA2CA1CA12CA9HPGDS
SCHEMBL17104377 0.86 HPGDS (0.54) CA2CA1CA12CA9HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040915-A1 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 — — US claimed
WO-2010088527-A2 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-08-05 — — WO claimed
US-9163063-B2 Peptides and nanoparticles for therapeutic and diagnostic applications TRUSTEES OF DARMOUTH COLLEGE (US) 2015-10-20 — — US disclosed
US-20140329760-A1 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-11-06 — — US disclosed
US-8658601-B2 Peptides and nanoparticles for therapeutic and diagnostic applications TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-02-25 — — US disclosed
US-20120040915-A1 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 — — US disclosed
WO-2010088527-A2 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-08-05 — — WO disclosed
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