SCHEMBL19689230

SCHEMBL19689230

CC1=CC1C(C)OC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.44
FOLH1 Q04609 2/20 0.44
CPB1 P15086 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 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
SCHEMBL19689233 0.79 FOLH1 (0.45) CPB2FOLH1CPB1SLC6A5CA1
SCHEMBL19689232 0.77 FOLH1 (0.43) CPB2FOLH1CPB1SLC6A5CA1
SCHEMBL5969065 0.75 FOLH1 (0.49) CPB2FOLH1CPB1SLC6A5
SCHEMBL5969066 0.75 FOLH1 (0.49) CPB2FOLH1CPB1SLC6A5
SCHEMBL9698704 0.75 FOLH1 (0.58) CPB2FOLH1CPB1SLC6A5CA1
SCHEMBL3435138 0.75 FOLH1 (0.58) CPB2FOLH1CPB1SLC6A5CA1
SCHEMBL27611756 0.74 FOLH1 (0.54) CPB2FOLH1SLC6A5CA1CA2
SCHEMBL9716676 0.74 FOLH1 (0.54) CPB2FOLH1CPB1SLC6A5CA1
SCHEMBL9716669 0.74 FOLH1 (0.54) CPB2FOLH1CPB1SLC6A5CA1
Hydrochloric Acid SCHEMBL31741284 0.73 FOLH1 (0.57) CPB2FOLH1CPB1SLC6A5CA1

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