SCHEMBL5270652

SCHEMBL5270652

C=CCc1c(F)c(F)c(C(=O)N[C@@H](C)C(C)C)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.59
TAS1R1 Q7RTX1 8/20 0.59
TAS1R2 Q8TE23 8/20 0.59
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 2/20 0.34
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5270655 1.00 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL4175061 0.80 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL4175750 0.80 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL13928024 0.80 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL5319284 0.78 TAS1R3 (0.63) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL5923906 0.78 TAS1R3 (0.63) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL400123 0.78 PKM (0.39) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL702725 0.75 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL700840 0.75 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2
SCHEMBL700841 0.75 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2PKMSMN1; SMN2

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 disclosed
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 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