SCHEMBL27704335

SCHEMBL27704335

CC(C)C(N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.62
▸ MME P08473 9/20 0.62
▸ CPA1 P15085 3/20 0.62
▸ ACE2 Q9BYF1 3/20 0.62
▸ FOLH1 Q04609 1/20 0.60
▸ NAALAD2 Q9Y3Q0 1/20 0.53

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
SCHEMBL27935801 1.00 ACE (0.62) ACEMMECPA1ACE2FOLH1
SCHEMBL4273365 1.00 ACE (0.62) ACEMMECPA1ACE2FOLH1
SCHEMBL27704333 1.00 ACE (0.62) ACEMMECPA1ACE2FOLH1
SCHEMBL4273366 1.00 ACE (0.62) ACEMMECPA1ACE2FOLH1
SCHEMBL6445682 1.00 ACE (0.62) ACEMMECPA1ACE2FOLH1
SCHEMBL29822661 0.97 MME (0.60) ACEMMECPA1ACE2FOLH1
SCHEMBL30577827 0.95 ACE (0.57) ACEMMECPA1ACE2FOLH1
SCHEMBL29351001 0.94 ACE (0.61) ACEMMECPA1ACE2FOLH1
SCHEMBL31753582 0.94 ACE (0.56) ACEMMECPA1ACE2FOLH1
SCHEMBL32679640 0.92 FOLH1 (0.67) ACEMMECPA1ACE2FOLH1

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
CN-101065354-A Diphenylazetidinone derivates possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2007-10-31 — — CN disclosed
Send feedback