SCHEMBL6276609

SCHEMBL6276609

CCOC(=O)N(OC(C)=O)C(CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.41
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
CYP1A2 P05177 1/20 0.36
EPOR P19235 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CPB1 P15086 1/20 0.30
FOLH1 Q04609 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
SCHEMBL9716594 0.81 CPB2 (0.46) CPB2GSRRNPEPCYP1A2EPOR
SCHEMBL9716597 0.81 CPB2 (0.46) CPB2GSRRNPEPCYP1A2EPOR
SCHEMBL6279174 0.79 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL9716651 0.76 CYP1A2 (0.42) CPB2GSRRNPEPCYP1A2EPOR
SCHEMBL9716642 0.76 CYP1A2 (0.42) CPB2GSRRNPEPCYP1A2EPOR
SCHEMBL29832367 0.73 CPB2 (0.43) CPB2GSR
SCHEMBL29832205 0.73 CPB2 (0.43) CPB2GSR
Lysine SCHEMBL16879782 0.70 GSR (0.67) CPB2GSRRNPEPCYP1A2ALDH1A1
SCHEMBL787391 0.69 GSR (0.46) CPB2GSRRNPEPEPORFOLH1
SCHEMBL9716771 0.69 GSR (0.46) CPB2GSRRNPEPEPORFOLH1

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
EP-1379547-B1 MODIFIED CYCLOSPORIN AS A PRO-DRUG AND USE THEREOF AS A MEDICAMENT DEBIOPHARM SA (CH) 2005-12-21 EP disclosed