SCHEMBL9542729

SCHEMBL9542729

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCc1ccccc1)CC(=O)N1Cc2c(ccc3ccccc23)C[C@@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.36
LIPG Q9Y5X9 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL9543213 0.88 ACE (0.43) ACE
SCHEMBL9543989 0.85 HDAC8 (0.36) ACELIPGPTPN1
SCHEMBL9542641 0.84 ACE (0.43) ACE
SCHEMBL9542557 0.82 LIPG (0.33) ACELIPGPTPN1
SCHEMBL9544913 0.81 ACE (0.41) ACE
SCHEMBL9543406 0.80 PTPN1 (0.38) ACEPTPN1
SCHEMBL9544945 0.78 ACE (0.39) ACE
SCHEMBL9543455 0.78 POLB (0.39) ACE
SCHEMBL9543875 0.76 ACE (0.40) ACE
SCHEMBL9544776 0.76 ACE (0.40) ACE

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed