SCHEMBL4753419

SCHEMBL4753419

CNC(CO)c1cccc(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR88 Q9GZN0 2/20 0.36
FYN P06241 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ROCK2 O75116 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6609429 0.84 AOC3 (0.54) TSHRMAPK1AOC3KDM4EL3MBTL1
SCHEMBL6634361 0.83 TSHR (0.47) TSHRMAPK1KDM4EGPR88ROCK2
SCHEMBL8590346 0.81 AOC3 (0.48) TSHRMAPK1AOC3FFAR1L3MBTL1
SCHEMBL6975924 0.81 AOC3 (0.48) TSHRMAPK1AOC3FFAR1L3MBTL1
SCHEMBL6978184 0.81 AOC3 (0.48) TSHRMAPK1AOC3FFAR1L3MBTL1
SCHEMBL3070382 0.78 HIF1A (0.56) TSHRMAPK1AOC3KDM4EL3MBTL1
SCHEMBL3909351 0.78 AOC3 (0.43) TSHRMAPK1AOC3FFAR1KDM4E
SCHEMBL3151292 0.77 KDM4E (0.55) TSHRFFAR1KDM4EL3MBTL1MEN1
SCHEMBL27629894 0.76 FFAR1 (0.44) TSHRMAPK1AOC3FFAR1KDM4E
SCHEMBL27965449 0.76 KDM4E (0.43) TSHRAOC3FFAR1KDM4EL3MBTL1

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-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed