SCHEMBL25028556

SCHEMBL25028556

C[C@H](NC(=O)C(C)(C)CCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MME P08473 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ACLY P53396 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FAAH O00519 1/20 0.32

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
SCHEMBL5901349 0.85 MME (0.41) MMEACECPA1ACE2MEN1
SCHEMBL20047603 0.80 FAAH (0.45) MMEACECPA1ACE2MEN1
SCHEMBL20047507 0.80 RIPK1 (0.47) MMEACECPA1ACE2TSHR
SCHEMBL12308640 0.80 ACE (0.39) MMEACECPA1ACE2MEN1
SCHEMBL22271602 0.75 FPR2 (0.39) ACACBACACAMMEGRNSORT1
SCHEMBL22271607 0.75 FPR2 (0.39) ACACBACACAMMEGRNSORT1
SCHEMBL22251624 0.74 MME (0.39) MMEACECPA1ACE2MEN1
SCHEMBL2863541 0.74 MME (0.39) MMEACECPA1ACE2MEN1
SCHEMBL2863543 0.74 MME (0.39) MMEACECPA1ACE2MEN1
SCHEMBL20013297 0.74 ACACB (0.38) ACACBACACAMMEACEACE2

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-2023016346-A1 POLYPEPTIDE COMPOUND CONTAINING LACTAM BRIDGE 南京明德新药研发有限公司 2023-02-16 — — WO disclosed
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