SCHEMBL7307169

SCHEMBL7307169

CC(C)(C)OC(=O)C[C@H](NC(=O)CCNC(=O)Cc1ccc(C(N)=S)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
REN P00797 2/20 0.41
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
PTPN1 P18031 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPRA P18433 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
CTSL P07711 2/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL7302254 0.92 TDP1 (0.46) CCKBRMAPTTDP1RENACE
Iodide SCHEMBL9217545 0.91 CCKBR (0.42) CCKBRMAPTTDP1RENACE
SCHEMBL7307254 0.88 MMP1 (0.49) MAPTTDP1RENACEKLK5
SCHEMBL9223666 0.88 REN (0.49) MAPTTDP1RENKLK5
SCHEMBL7305886 0.86 CTSS (0.45) CCKBRMAPTTDP1ACEKLK5
SCHEMBL9339365 0.84 MAPT (0.45) MAPTTDP1RENPOLBPTPN1
SCHEMBL7296817 0.84 MAPT (0.44) CCKBRMAPTTDP1RENACE
Iodide SCHEMBL9221941 0.83 CCKBR (0.43) CCKBRMAPTTDP1RENACE
SCHEMBL8438729 0.82 MEN1 (0.47) MAPTTDP1RENKLK5POLB
SCHEMBL7301659 0.80 CTSG (0.46) MAPTTDP1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
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
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed