SCHEMBL5277673

SCHEMBL5277673

COc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(OC)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HPGDS O60760 1/20 0.51
TAS1R2 Q8TE23 1/20 0.50
SLC5A7 Q9GZV3 1/20 0.49
ROCK2 O75116 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
PDE10A Q9Y233 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
WDR5 P61964 2/20 0.46

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
SCHEMBL31157569 1.00 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5273125 1.00 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923926 0.89 TAS1R3 (0.61) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2064346 0.86 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2064349 0.86 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923976 0.86 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923916 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923946 0.80 TAS1R3 (0.74) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923942 0.80 TAS1R3 (0.74) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL758318 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTAS1R3

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
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP claimed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO claimed
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 claimed