SCHEMBL5923937

SCHEMBL5923937

CCCC(CCC)NC(=O)c1ccc(-c2cnco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.55
TAS1R1 Q7RTX1 12/20 0.55
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 2/20 0.52
PKM P14618 2/20 0.52
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACACB O00763 1/20 0.46
AAK1 Q2M2I8 1/20 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
SCHEMBL2407414 0.75 NPC1 (0.50) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL2431912 0.73 PKM (0.59) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL21711047 0.73 TAS1R3 (0.73) TAS1R3TAS1R1ALDH1A1HTT
SCHEMBL64372 0.72 PKM (0.55) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL1124336 0.71 GPR119 (0.56) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL702662 0.71 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1LMNAHTT
SCHEMBL1010247 0.71 PKM (0.59) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL13169591 0.71 TAS1R3 (0.70) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL20878559 0.70 TAS1R3 (0.69) TAS1R3TAS1R1
SCHEMBL5094841 0.70 GPR119 (0.52) NPC1KDM4EPKMRAB9AALDH1A1

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