SCHEMBL5201745

SCHEMBL5201745

CCOC(CN)(CCC(=O)OC(C)(C)C)OCC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL1263504 0.79 HDAC1 (0.34)
SCHEMBL19147779 0.78 HDAC6 (0.33)
SCHEMBL29035595 0.77 HDAC1 (0.32)
SCHEMBL5682635 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL328633 0.71 STING1 (0.36)
SCHEMBL3960043 0.71 GRM4 (0.37)
SCHEMBL16334546 0.71 STING1 (0.36)
SCHEMBL16327485 0.71 HDAC6 (0.37)
SCHEMBL10014001 0.71 HDAC6 (0.37)
SCHEMBL132540 0.71 HDAC1 (0.37) CYP1A2

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
EP-1631586-B1 PEPTIDE ANALOGUES COMPRISING AT LEAST ONE TYPE OF AMINOACYL AZA-BETA 3 AND THE USE THEREOF, IN PARTICULAR FOR THERAPY CENTRE NAT RECH SCIENT (FR) 2007-08-22 EP disclosed
EP-1631586-A2 PEPTIDE ANALOGUES COMPRISING AT LEAST ONE TYPE OF AMINOACYL AZA-BETA 3 AND THE USE THEREOF, IN PARTICULAR FOR THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-03-08 EP disclosed
WO-2004111086-A2 PEPTIDE ANALOGUES COMPRISING AT LEAST ONE TYPE OF AMINOACYL AZA-$G(B)3 AND THE USE THEREOF, IN PARTICULAR FOR THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIQUE (FR) 2004-12-23 WO disclosed