SCHEMBL5580157

SCHEMBL5580157

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.51
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
WDR5 P61964 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5580147 0.89 CCR3 (0.55) CCR3MEN1KMT2AMAPTHTT
SCHEMBL5580409 0.86 CCR3 (0.49) CCR3MEN1KMT2AMAPTHTT
SCHEMBL5580177 0.86 DEGS1 (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5580150 0.85 ALDH1A1 (0.46) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3936098 0.84 NPC1 (0.54) MEN1KMT2AMAPTHTTGAA
SCHEMBL5580155 0.84 CCR3 (0.48) CCR3MEN1KMT2AMAPTHTT
SCHEMBL8021169 0.78 CCR3 (0.47) CCR3MEN1KMT2AMAPTHTT
SCHEMBL7608481 0.76 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL8014171 0.76 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL25388151 0.73 PLK1 (0.57) MEN1KMT2AGAALMNASMN1; 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 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