SCHEMBL9543518

SCHEMBL9543518

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9542802 1.00 ACE (0.43) ACEKMT2APOLBTDP1L3MBTL1
SCHEMBL9542419 0.90 ACE (0.39) ACEKMT2APOLB
SCHEMBL9542855 0.90 ACE (0.39) ACEKMT2APOLB
SCHEMBL9545311 0.87 PRMT5 (0.39) ACEKMT2A
SCHEMBL6847724 0.86 ACE (0.54) ACEKMT2APOLB
SCHEMBL12646680 0.86 ACE (0.54) ACEKMT2APOLB
SCHEMBL7380297 0.86 ACE (0.54) ACEKMT2APOLB
SCHEMBL9542869 0.86 ACE (0.54) ACEKMT2APOLB
SCHEMBL8642743 0.86 ACE (0.54) ACEKMT2APOLB
SCHEMBL3194307 0.86 ACE (0.54) ACEKMT2APOLB

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