SCHEMBL1406153

SCHEMBL1406153

CC(C)C[C@H](N)C(=O)Oc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.50
POLB P06746 3/20 0.46
PSMB11 A5LHX3 2/20 0.46
PSMA7 O14818 2/20 0.46
PSMB1 P20618 2/20 0.46
PSMA1 P25786 2/20 0.46
PSMA2 P25787 2/20 0.46
PSMA3 P25788 2/20 0.46
PSMA4 P25789 2/20 0.46
PSMB8 P28062 2/20 0.46
PSMB9 P28065 2/20 0.46
PSMA5 P28066 2/20 0.46
PSMB4 P28070 2/20 0.46
PSMB6 P28072 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB10 P40306 2/20 0.46
PSMB3 P49720 2/20 0.46
PSMB2 P49721 2/20 0.46
PSMA6 P60900 2/20 0.46
PSMA8 Q8TAA3 2/20 0.46

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
Boric Acid SCHEMBL3813642 0.97 CTSS (0.48) CTSSPOLBPSMB11PSMA7PSMB1
Leucine SCHEMBL1406209 0.85 CTSS (0.54) CTSSPOLBCACNA1BCTSL
Leucine SCHEMBL1406330 0.85 CTSS (0.62) CTSSPOLBPSMB11PSMA7PSMB1
Leucine SCHEMBL3816835 0.83 CTSS (0.51) CTSSPOLBCACNA1BCTSL
SCHEMBL234602 0.83 CTSS (0.49) CTSSPOLBPSMB11PSMA7PSMB1
Leucine SCHEMBL3812485 0.82 CTSS (0.59) CTSSPOLBPSMB11PSMA7PSMB1
SCHEMBL3185566 0.82 CTSS (0.48) CTSSPOLBPSMB11PSMA7PSMB1
SCHEMBL6803415 0.81 BLM (0.56) CTSSPOLBGAACTSLGFER
SCHEMBL7560095 0.81 ITGB3 (0.55)
Leucine SCHEMBL1406207 0.80 CTSS (0.47) CTSSPOLBPSMB11PSMA7PSMB1

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-1355910-B1 FORMULATION OF BORONIC ACID COMPOUNDS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2011-03-09 EP claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP claimed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP claimed