SCHEMBL4212136

SCHEMBL4212136

CCCC[C@@H](NC(=O)C1=COC(Cc2ccccc2)O1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CA2 P00918 1/20 0.43
MME P08473 3/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
ECE1 P42892 1/20 0.41
GNPAT O15228 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PYGL P06737 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
C3AR1 Q16581 1/20 0.39
FOLH1 Q04609 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
FNTA P49354 1/20 0.38

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
SCHEMBL702115 0.90 BIRC2 (0.45) CNR2SIRT2SIRT1
SCHEMBL706179 0.90 BIRC2 (0.45) CNR2SIRT2SIRT1
SCHEMBL703488 0.83 POLB (0.44) CA2L3MBTL1CYP2C9CA12CA9
SCHEMBL2120006 0.77 TAS1R3 (0.39) CNR2MMECYP2C9
SCHEMBL133894 0.75 MEN1 (0.36) KMT2A
SCHEMBL10668269 0.72 CA2 (0.68) CA2MMECYP2C9CA12CA1
SCHEMBL186935 0.72 CA2 (0.68) CA2MMECYP2C9CA12CA1
SCHEMBL186937 0.72 CA2 (0.68) CA2MMECYP2C9CA12CA1
SCHEMBL230546 0.72 CTRB1 (0.36)
Ammonia Solution, Strong SCHEMBL11218438 0.71 CA2 (0.67) CA2MMECYP2C9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
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