SCHEMBL5923947

SCHEMBL5923947

C=Cc1ccccc1NC(=O)NC(CCC)CCC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.66
TAS1R1 Q7RTX1 8/20 0.66
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 1/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL702756 0.80 TAS1R3 (1.00) TAS1R3TAS1R1POLBMAPK1ALDH1A1
SCHEMBL703261 0.78 TAS1R3 (1.00) TAS1R3TAS1R1POLBMAPK1KDM4E
SCHEMBL11918676 0.78 TAS1R3 (0.71) TAS1R3TAS1R1POLBMAPK1ALDH1A1
SCHEMBL702640 0.78 TAS1R3 (1.00) TAS1R3TAS1R1POLBMAPK1ALDH1A1
SCHEMBL5923949 0.77 TAS1R3 (0.69) TAS1R3TAS1R1POLBMAPK1ALDH1A1
SCHEMBL14537867 0.76 TAS1R3 (0.81) TAS1R3TAS1R1POLBMAPK1ALDH1A1
SCHEMBL5923939 0.76 TAS1R3 (0.68) TAS1R3TAS1R1POLBALDH1A1SMN1; SMN2
SCHEMBL1205862 0.75 MAPK1 (0.61) MAPK1ALDH1A1GAAHPGD
SCHEMBL27490830 0.74 CYP1A2 (0.48) POLBMAPK1ALDH1A1KDM4ECYP1A2
SCHEMBL19987404 0.74 TAS1R3 (0.89) TAS1R3TAS1R1POLBMAPK1ALDH1A1

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-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed