SCHEMBL23845539

SCHEMBL23845539

Cn1cnc(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.54
▸ TRHR P34981 3/20 0.54
▸ CMA1 P23946 8/20 0.47
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.43
▸ ACE2 Q9BYF1 5/20 0.41

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
SCHEMBL23832966 0.86 ACE (0.55) ACECMA1F2PRSS1KLK5
SCHEMBL23832967 0.86 ACE (0.55) ACECMA1F2PRSS1KLK5
SCHEMBL6078759 0.84 ACE (0.61) ACECMA1F2PRSS1KLK5
SCHEMBL6078614 0.84 ACE (0.61) ACECMA1F2PRSS1KLK5
SCHEMBL5900836 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5
SCHEMBL22409423 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5
SCHEMBL5900839 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5
SCHEMBL3692081 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5
SCHEMBL3692085 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5
SCHEMBL8378100 0.82 ACE (0.77) ACECMA1F2PRSS1KLK5

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-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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