SCHEMBL14719929

SCHEMBL14719929

C#Cc1ccc(C(=O)N[C@@H](CCCCN(O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
CA2 P00918 3/20 0.49
CA1 P00915 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
FOLH1 Q04609 12/20 0.47
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TYMS P04818 1/20 0.41

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
SCHEMBL14719857 0.86 FOLH1 (0.62) CA2CA1CA12CA9FOLH1
SCHEMBL5508045 0.85 CA2 (0.61) ALBCA2CA1CA12CA9
SCHEMBL14719925 0.81 FOLH1 (0.60) CA2CA1CA12CA9FOLH1
SCHEMBL22712876 0.78 FOLH1 (0.77) ALBFOLH1
SCHEMBL18145579 0.78 FOLH1 (0.77) ALBFOLH1
SCHEMBL14719927 0.78 FOLH1 (0.77) ALBFOLH1
SCHEMBL31485787 0.78 FOLH1 (0.74) ALBFOLH1
SCHEMBL27564186 0.75 CA2 (0.75) CA2CA1CA12CA9FOLH1
SCHEMBL14719973 0.74 FOLH1 (0.66) ALBCA2CA1CA12CA9
SCHEMBL15905507 0.73 CA2 (0.61) CA2CA1CA12CA9FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 WO disclosed