SCHEMBL2012047

SCHEMBL2012047

CC(O)C(C)(OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LIPG Q9Y5X9 7/20 0.43
LPL P06858 6/20 0.43
AAK1 Q2M2I8 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ESR2 Q92731 1/20 0.39
DGAT1 O75907 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL17734240 0.75 LIPG (0.50) F11F2PRSS1PRSS2PRSS3
SCHEMBL21383623 0.74 LIPG (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL17734224 0.74 LIPG (0.49) F11F2PRSS1PRSS2PRSS3
SCHEMBL23582308 0.73 F11 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL2012044 0.73 DGAT1 (0.48) F11F2PRSS1PRSS2PRSS3
SCHEMBL21383621 0.73 LIPG (0.54) F11F2PRSS1PRSS2PRSS3
SCHEMBL27380258 0.72 LIPG (0.47) F11F2PRSS1PRSS2PRSS3
SCHEMBL16256313 0.72 LIPG (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL1982315 0.71 DGAT1 (0.47) F11F2PRSS1PRSS2PRSS3
SCHEMBL24776579 0.71 LPL (0.56) F11F2PRSS1PRSS2PRSS3

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-2334636-A2 HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2011-06-22 EP disclosed
WO-2010032147-A2 HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2010-03-25 WO disclosed