SCHEMBL9554654

SCHEMBL9554654

C[C@@H](NC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
TSHR P16473 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ALDH1A1 P00352 4/20 0.61
ANPEP P15144 3/20 0.60
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 1/20 0.54

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
SCHEMBL12252067 0.86 MAPT (0.69) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11657783 0.85 L3MBTL1 (1.00) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL7206283 0.83 MAPK1 (0.76) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL6445570 0.83 MAPK1 (0.76) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL5175905 0.83 MAPK1 (0.76) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL24568368 0.83 MAPT (0.65) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL10883477 0.83 MAPT (0.65) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL8018817 0.82 MAPK1 (0.61) MAPTL3MBTL1TSHRALDH1A1ANPEP
SCHEMBL5611837 0.81 MAPT (0.63) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6436940 0.81 EPHX2 (0.68) MAPTL3MBTL1MEN1KMT2AALDH1A1

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed