SCHEMBL8945568

SCHEMBL8945568

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
MME P08473 4/20 0.48
ECE1 P42892 2/20 0.47
ALDH1A1 P00352 2/20 0.46
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
LAP3 P28838 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 2/20 0.43

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
SCHEMBL30924740 0.91 PDCD1LG2 (0.48) PDCD1LG2CD274MMEECE1BACE1
SCHEMBL31031454 0.90 MME (0.56) MMEALDH1A1LAP3MEN1LMNA
SCHEMBL30571137 0.90 PDCD1LG2 (0.47) PDCD1LG2CD274MMEECE1BACE1
SCHEMBL30453786 0.90 ALDH1A1 (0.53) MMEALDH1A1LAP3MEN1LMNA
SCHEMBL3777968 0.89 ALDH1A1 (0.56) MMEALDH1A1LAP3MEN1LMNA
SCHEMBL3777970 0.89 ALDH1A1 (0.56) MMEALDH1A1LAP3MEN1LMNA
SCHEMBL30676222 0.89 ALDH1A1 (0.56) MMEALDH1A1LAP3MEN1LMNA
SCHEMBL29695578 0.89 PDCD1LG2 (0.46) PDCD1LG2CD274MMEECE1BACE1
SCHEMBL31073604 0.89 MME (0.55) PDCD1LG2CD274MMEECE1BACE1
SCHEMBL29493333 0.89 MME (0.51) PDCD1LG2CD274MMEECE1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508382-A SYNTHETIC CALCITONIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0452514-B1 PEPTIDE AND PROCESS FOR PREPARING CYCLIC PEPTIDE DAICEL CHEM (JP) 1995-07-05 EP disclosed
EP-0452514-A1 PEPTIDE AND PROCESS FOR PREPARING CYCLIC PEPTIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-10-23 EP disclosed