SCHEMBL9214937

SCHEMBL9214937

CC(CC(=O)OCc1ccccc1)NC(=O)CCN

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.50
MMP9 P14780 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43

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
Hydrochloric Acid SCHEMBL7373363 0.89 SLC15A1 (0.50) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL8978262 0.85 SLC15A1 (0.53) SLC15A1MMP9SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9222366 0.83 MMP9 (0.46) SLC15A1MMP9SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9222177 0.83 MMP9 (0.46) SLC15A1MMP9SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL3019993 0.83 ACE (0.51) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL24235709 0.80 POLB (0.48) SLC15A1SMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL7295520 0.80 SYK (0.53) MAPK1L3MBTL1POLBCTSLCTSS
SCHEMBL9217103 0.80 SYK (0.53) MAPK1L3MBTL1POLBCTSLCTSS
SCHEMBL14195227 0.80 ALDH1A1 (0.54) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL24235691 0.78 POLB (0.49) SLC15A1SMN1; SMN2ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed