SCHEMBL6023715

SCHEMBL6023715

CCOCCO[C@@H](COS(=O)(=O)c1ccc(C)cc1)CN(Cc1ccccc1)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CNR2 P34972 3/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
EPOR P19235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
NR3C1 P04150 1/20 0.33
MCHR1 Q99705 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LIMK2 P53671 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL6024794 1.00 POLB (0.38) POLBCNR2TAS2R14EPORALDH1A1
SCHEMBL3458170 0.87 POLB (0.38) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL3457756 0.87 POLB (0.38) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL3458080 0.82 BACE1 (0.40) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL3457301 0.82 BACE1 (0.40) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL6024693 0.82 BACE1 (0.40) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL6024628 0.82 BACE1 (0.40) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL3026226 0.73 TAS2R14 (0.46) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL3026229 0.73 TAS2R14 (0.46) POLBCNR2TAS2R14ALDH1A1LMNA
SCHEMBL2173108 0.72 LMNA (0.37) POLBALDH1A1LMNAMAPTSMN1; SMN2

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-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed