SCHEMBL6176307

SCHEMBL6176307

CCC(c1ccccc1)N(O)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALOX5 P09917 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL7908361 0.81 MMP2 (0.43) MMP2MMP9LMNAALDH1A1MAPT
SCHEMBL10010885 0.81 TRPM8 (0.43) TRPM8LMNAALDH1A1MAPTAOC3
SCHEMBL1031859 0.78 LMNA (0.52) TRPM8LMNAAOC3POLBMEN1
SCHEMBL8576434 0.78 LMNA (0.52) TRPM8LMNAAOC3POLBMEN1
SCHEMBL1952126 0.76 TRPM8 (0.49) TRPM8LMNAALDH1A1AOC3POLB
SCHEMBL7593804 0.75 ALOX5 (0.53) TRPM8ALDH1A1MAPTCYP2D6MEN1
SCHEMBL5949584 0.75 ALOX5 (0.53) TRPM8ALDH1A1MAPTCYP2D6MEN1
SCHEMBL2842918 0.74 CYP2D6 (0.44) MMP2MMP9LMNAALDH1A1CYP2D6
SCHEMBL11141579 0.73 LMNA (0.47) TRPM8LMNAALDH1A1MAPTAOC3
SCHEMBL29059910 0.72 HTR2A (0.45) TRPM8LMNAALDH1A1AOC3CYP2D6

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-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO disclosed