SCHEMBL28362245

SCHEMBL28362245

N#Cc1c(NS(N)(=O)=O)cccc1OCC1CCCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CPT1A P50416 3/20 0.36
ABHD6 Q9BV23 4/20 0.36
DAGLA Q9Y4D2 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PREP P48147 1/20 0.33
CPT2 P23786 1/20 0.33
PPARG P37231 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL15567768 0.88 ALDH1A1 (0.39) ALDH1A1IRAK4HCRTR2MAPT
SCHEMBL18224085 0.87 F2RL3 (0.40) ALDH1A1IRAK4HCRTR2
SCHEMBL15568053 0.87 IRAK4 (0.41) ALDH1A1IRAK4HCRTR2PREPNPC1
SCHEMBL15568054 0.87 IRAK4 (0.41) ALDH1A1IRAK4HCRTR2PREPNPC1
SCHEMBL15607442 0.87 F2RL3 (0.40) ALDH1A1IRAK4HCRTR2
SCHEMBL15607210 0.84 HRH3 (0.41) ALDH1A1
SCHEMBL16205115 0.84 HRH3 (0.41) ALDH1A1
SCHEMBL618707 0.81 MRGPRX1 (0.39)
SCHEMBL23638211 0.80 BRAF (0.34) ALDH1A1
SCHEMBL621999 0.80 RBP4 (0.43) IRAK4

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
CN-104603132-B Sweet taste modifier 弗门尼舍公司 2020-02-21 CN disclosed