SCHEMBL13069729

SCHEMBL13069729

CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
CTSS P25774 5/20 0.50
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RY2 P41231 1/20 0.42

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
SCHEMBL9196011 1.00 CTSK (0.50) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL863894 0.90 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL863895 0.90 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3773280 0.90 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6036315 0.89 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL3432850 0.89 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL3431559 0.89 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL1820405 0.88 CTSK (0.52) CTSKCTSSMEN1KMT2AATM
SCHEMBL11506791 0.88 CTSK (0.49) CTSKCTSSMEN1KMT2AATM
SCHEMBL5129671 0.87 CTSK (0.47) CTSKCTSSITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401433-B1 AZOLE ACID DERIVATIVES, ALONE OR IN COMBINATION, FOR TREATING DIABETES AND DYSLIPIDEMIAS; AND FOR TREATING MALIGNANT DISEASES BRISTOL MYERS SQUIBB CO (US) 2010-11-10 EP disclosed
US-7452907-B2 Conformationally constrained analogs useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed