SCHEMBL7310400

SCHEMBL7310400

O=C(CC(Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.46
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7312789 1.00 MME (0.46) MMELTA4HALDH1A1TSHR
SCHEMBL7310410 1.00 MME (0.46) MMELTA4HALDH1A1TSHR
SCHEMBL7312761 1.00 MME (0.46) MMELTA4HALDH1A1TSHR
SCHEMBL7321074 0.91 BIRC2 (0.47) ALDH1A1TSHR
SCHEMBL7307744 0.88 MME (0.49) MMELTA4H
SCHEMBL7307711 0.88 MME (0.49) MMELTA4H
SCHEMBL7322360 0.88 MME (0.49) MMELTA4H
SCHEMBL7307690 0.88 MME (0.49) MMELTA4H
SCHEMBL10826528 0.86 MME (0.52) MME
SCHEMBL7311263 0.85 MME (0.44) MMELTA4H

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