SCHEMBL17484177

SCHEMBL17484177

CC(O)CNC(N)CCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 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
SCHEMBL1053989 0.81
SCHEMBL11598713 0.77 SPHK1 (0.48)
SCHEMBL20996687 0.76 TDP1 (0.36) TDP1ALDH1A1TSHR
SCHEMBL22443352 0.75
SCHEMBL17572970 0.74 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL11852407 0.72
SCHEMBL20996693 0.71 LMNA (0.38) TDP1TSHR
SCHEMBL4630312 0.71 TDP1 (0.32) TDP1ANPEPALDH1A1
SCHEMBL20996690 0.70 TSHR (0.34) TDP1TSHR
Hydroxyamine SCHEMBL28342628 0.69 TSHR (0.37) TDP1ALDH1A1TSHR

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-9254348-B2 In situ crosslinking hydrogel comprising γ-polyglutamic acid and method for producing the same SAMYANG BIOPHARMACEUTICALS CORPORATION (KR) 2016-02-09 US claimed