SCHEMBL11369

SCHEMBL11369

CC(C)(C)OC(=O)Nc1ccccc1CCC(C)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
AKT1 P31749 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14088915 0.80 AKT1 (0.46) CA12CA1CA7CA14AKT1
SCHEMBL4463941 0.80 LMNA (0.41) CA12CA1CA7CA14AKT1
SCHEMBL6802648 0.79 LMNA (0.45) CA12CA1CA7CA14AKT1
SCHEMBL1772002 0.79 LMNA (0.47) CA12CA1CA7CA14AKT1
SCHEMBL5757395 0.79 POLB (0.47) AKT1LMNAPOLB
SCHEMBL13980666 0.78 AKT1 (0.44) AKT1LMNAPOLB
SCHEMBL5857 0.78 CYP17A1 (0.49) SLC6A2MMP12MMP13
SCHEMBL5871517 0.77 LMNA (0.48) CA12CA1CA7CA14AKT1
SCHEMBL2487493 0.77 LMNA (0.46) CA12CA1CA7CA14AKT1
SCHEMBL6502501 0.77 LMNA (0.43) CA12CA1CA7CA14AKT1

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-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed