SCHEMBL19689232

SCHEMBL19689232

CC1=CC1CCOC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
CPB2 Q96IY4 4/20 0.40
TGM2 P21980 2/20 0.40
ECE1 P42892 1/20 0.40
CPB1 P15086 1/20 0.40
ACE P12821 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SLC6A5 Q9Y345 1/20 0.38
TLR2 O60603 2/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL19689233 0.88 FOLH1 (0.45) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL16861145 0.79 FOLH1 (0.51) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL29233084 0.79 FOLH1 (0.51) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL29233086 0.79 FOLH1 (0.51) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL16861144 0.79 FOLH1 (0.51) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL9716669 0.79 FOLH1 (0.54) FOLH1CPB2TGM2ECE1CPB1
SCHEMBL9716676 0.79 FOLH1 (0.54) FOLH1CPB2TGM2ECE1CPB1
SCHEMBL457463 0.78 SLC6A5 (0.52) FOLH1ITGB3ITGA2BTGM2SLC6A5
SCHEMBL6276612 0.78 FOLH1 (0.50) FOLH1ITGB3ITGA2BCPB2TGM2
SCHEMBL2356099 0.78 SLC6A5 (0.52) FOLH1ITGB3ITGA2BTGM2SLC6A5

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
US-20170356023-A1 USE OF eRF1 MUTANTS IN UNNATURAL AMINO ACID INCORPORATION UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2017-12-14 US disclosed