SCHEMBL5580409

SCHEMBL5580409

CC(c1ccc([N+](=O)[O-])cc1)C(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
WDR5 P61964 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL5580155 0.89 CCR3 (0.48) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL5580157 0.86 CCR3 (0.51) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL5580147 0.83 CCR3 (0.55) CCR3MEN1KMT2AMAPTHTT
SCHEMBL8021169 0.80 CCR3 (0.47) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL25388151 0.78 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL735538 0.78 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL25386182 0.78 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7031326 0.77 PLK1 (0.55) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL8014171 0.76 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL7608481 0.76 CCR3 (0.66) CCR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed