SCHEMBL4207477

SCHEMBL4207477

C=CCc1ccc(C=CC(=O)Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
HTR1A P08908 1/20 0.48
AKR1B10 O60218 4/20 0.48
AKR1B1 P15121 4/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
LMNA P02545 1/20 0.48
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
GSK3B P49841 1/20 0.43
BACE1 P56817 1/20 0.43
RAD51 Q06609 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
SCHEMBL14394756 0.83 KMT2A (0.66) KMT2AMAOBHTR1AAKR1B10AKR1B1
SCHEMBL18288745 0.83 KMT2A (0.66) KMT2AMAOBHTR1AAKR1B10AKR1B1
SCHEMBL11809210 0.82 SNCA (0.48) KMT2AMAOBMAOALMNAMEN1
SCHEMBL648890 0.82 KMT2A (0.60) KMT2AMAOBHTR1AAKR1B10AKR1B1
SCHEMBL1363530 0.81 MAOB (0.47) MAOBMAOAAKR1B10AKR1B1CA12
SCHEMBL9861011 0.81 ALDH1A1 (0.55) KMT2AMAOBMAOAAKR1B1MEN1
SCHEMBL9860302 0.81 ALDH1A1 (0.55) KMT2AMAOBMAOAAKR1B1MEN1
Phenyl Cinnamate SCHEMBL1055160 0.81 KMT2A (0.77) KMT2AMAOBHTR1AAKR1B10AKR1B1
Phenyl Cinnamate SCHEMBL1055161 0.81 KMT2A (0.77) KMT2AMAOBHTR1AAKR1B10AKR1B1
E-Methyl Cinnamate SCHEMBL4435437 0.80 ALDH1A1 (0.56) KMT2AMAOBLMNAGSK3BMEN1

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-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 WO disclosed