SCHEMBL20860976

SCHEMBL20860976

O=C(NC1CCCCc2ccccc21)c1cccc(Cl)c1O

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.93
TAS1R1 Q7RTX1 16/20 0.93
TAS1R2 Q8TE23 13/20 0.93
ALDH1A1 P00352 1/20 0.76
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL701855 0.96 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL701854 0.96 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL10226890 0.91 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL702372 0.84 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702373 0.84 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702935 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702936 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL27102879 0.83 TAS1R3 (0.73) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL5319909 0.82 TAS1R3 (0.74) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL701934 0.81 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1POLB

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
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed