SCHEMBL24899414

SCHEMBL24899414

CC(=O)CNC(=O)[C@@H](C)CSCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FCER2 P06734 1/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL26774841 0.89 MME (0.36) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL26858396 0.89 ALDH1A1 (0.33) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL24915216 0.88 MME (0.34) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL26858193 0.85 MME (0.31) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL26857875 0.82 MME (0.33) MME
SCHEMBL26857865 0.78 MME (0.34) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL20910230 0.77 FCER2 (0.35) ALDH1A1FCER2ACE
SCHEMBL26169813 0.74 FCER2 (0.36) FCER2ACE
SCHEMBL26518372 0.73 FCER2 (0.33) TDP1FCER2
SCHEMBL13948303 0.72 CES1 (0.37) LMNAMAPT

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-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed