SCHEMBL9542855

SCHEMBL9542855

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1C[C@H](Sc2ccccc2)C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9542419 1.00 ACE (0.39) ACEKMT2APOLB
SCHEMBL9542802 0.90 ACE (0.43) ACEKMT2APOLB
SCHEMBL9543518 0.90 ACE (0.43) ACEKMT2APOLB
SCHEMBL9544205 0.90 ACE (0.35) ACEKMT2A
SCHEMBL9543908 0.84 POLB (0.41) POLB
SCHEMBL9543922 0.83 ACE (0.42) ACEPOLB
SCHEMBL9543964 0.82 ABCB1 (0.41) ACE
SCHEMBL9545311 0.78 PRMT5 (0.39) ACEKMT2A
SCHEMBL9544357 0.78 ACE (0.38) ACEPOLB
SCHEMBL9545027 0.78 ACE (0.38) ACEPOLB

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