SCHEMBL7354574

SCHEMBL7354574

COC(=O)C(=O)C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KLK5 Q9Y337 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
ACE P12821 1/20 0.45
KLK7 P49862 1/20 0.45
CTRB1 P17538 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
USP30 Q70CQ3 1/20 0.42
CMA1 P23946 4/20 0.42
FKBP1A P62942 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL7352711 0.83 ACE (0.53) KMT2AKLK5ACECMA1
SCHEMBL4452584 0.83 KLK5 (0.50) KMT2AKLK5ACECMA1
SCHEMBL7381851 0.83 MEN1 (0.49) MEN1KMT2AKLK5ALDH1A1NPC1
SCHEMBL4455015 0.82 CMA1 (0.49) MEN1KMT2AKLK5ACECMA1
SCHEMBL7348146 0.81 MAPK1 (0.51) KMT2AKLK5ACECMA1
SCHEMBL7354571 0.80 ACE (0.51) MEN1KMT2AKLK5ACECTRB1
SCHEMBL28067688 0.78 ACE (0.56) MEN1KMT2AKLK5ACECTRB1
SCHEMBL28067687 0.78 ACE (0.56) MEN1KMT2AKLK5ACECTRB1
SCHEMBL3825215 0.77 CMA1 (0.63) MEN1KMT2AKLK5ALDH1A1ACE
SCHEMBL21748404 0.77 CMA1 (0.63) MEN1KMT2AKLK5ALDH1A1ACE

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-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed