SCHEMBL7318511

SCHEMBL7318511

O=C(CC(Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.45
LTA4H P09960 1/20 0.43
HSPA1A P0DMV8 1/20 0.42
HSPA5 P11021 1/20 0.42
HSPA9 P38646 1/20 0.42
HSPA2 P54652 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7318538 1.00 MME (0.45) MMELTA4HHSPA1AHSPA5HSPA9
SCHEMBL7318567 1.00 MME (0.45) MMELTA4HHSPA1AHSPA5HSPA9
SCHEMBL7307744 0.87 MME (0.49) MMELTA4H
SCHEMBL7307711 0.87 MME (0.49) MMELTA4H
SCHEMBL7307690 0.87 MME (0.49) MMELTA4H
SCHEMBL7322360 0.87 MME (0.49) MMELTA4H
SCHEMBL10826528 0.85 MME (0.52) MME
SCHEMBL7311328 0.83 LTA4H (0.44) MMELTA4HPOLB
SCHEMBL7311365 0.83 LTA4H (0.44) MMELTA4HPOLB
SCHEMBL7311305 0.83 LTA4H (0.44) MMELTA4HPOLB

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed