SCHEMBL5580155

SCHEMBL5580155

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
WDR5 P61964 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PDE2A O00408 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE5A O76074 1/20 0.42
PDE9A O76083 1/20 0.42
PDE8B O95263 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42

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
SCHEMBL5580409 0.89 CCR3 (0.49) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL5580157 0.84 CCR3 (0.51) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL5580147 0.81 CCR3 (0.55) CCR3MEN1KMT2AMAPTHTT
SCHEMBL25386182 0.79 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL735538 0.79 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL25388151 0.79 PLK1 (0.57) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL8021169 0.78 CCR3 (0.47) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL7031326 0.75 PLK1 (0.55) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL8014171 0.75 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL7608481 0.75 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