SCHEMBL4077485

SCHEMBL4077485

NC1CC=C(C(=O)O)CC1N

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.69
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
OAT P04181 1/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
ABAT P80404 1/20 0.37

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
SCHEMBL19506521 0.83 GABRR1 (0.64) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL691945 0.82
SCHEMBL692857 0.82
SCHEMBL874522 0.82
SCHEMBL23299695 0.81 GABRR1 (0.62) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL13046000 0.81 GABRR1 (0.62) GABRR1TSHRMAPK1HSD17B10TDP1
Hydrochloric Acid SCHEMBL22711535 0.80 GABRR1 (0.96) GABRR1TSHRMAPK1HSD17B10TDP1
Hydrochloric Acid SCHEMBL23274787 0.79 GABRR1 (0.60) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL12491828 0.77 GABRR1 (0.57) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL4926639 0.74

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
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed