SCHEMBL21083181

SCHEMBL21083181

CCC(=O)Nc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
SLC7A5 Q01650 2/20 0.56
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ITGB3 P05106 1/20 0.49

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
SCHEMBL5678587 0.88 MAPT (0.59) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL4943107 0.85 SLC7A5 (0.61) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL30037334 0.85 SLC7A5 (0.61) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL3059437 0.85 SLC7A5 (0.61) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL12835439 0.84 ALDH1A1 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL22689686 0.84 SLC7A5 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL22689687 0.84 SLC7A5 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7270611 0.84 SLC7A5 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL16860980 0.84 SLC7A5 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7270604 0.84 SLC7A5 (0.56) MAPTSLC7A5SLC1A3SLC1A2SLC1A1

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
EP-2605789-B1 MODIFIED RELAXIN POLYPEPTIDES AND THEIR USES AMBRX INC (US) 2019-06-05 EP disclosed