SCHEMBL2208486

SCHEMBL2208486

CC(=[N+]=[N-])c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL11300618 0.79 CES2 (0.54) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL30648242 0.79 CES2 (0.54) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL30648237 0.79 CES2 (0.54) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL30648236 0.79 CES2 (0.54) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL397225 0.76 CES2 (0.60) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL3155988 0.73 CES2 (0.42) CES2CES1SMN1; SMN2F2ALDH1A1
SCHEMBL43058 0.72 ALDH1A1 (0.71) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL8291387 0.72 F2 (0.63) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL30999689 0.72 CES2 (0.56) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL29356637 0.72 ALDH1A1 (0.71) CES2CES1HPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981686-B2 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2011-07-19 US disclosed
US-20060160240-A1 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2006-07-20 US disclosed
EP-1553411-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR Kao Corporation (JP) 2005-07-13 EP disclosed