SCHEMBL10290673

SCHEMBL10290673

CCNc1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCNC(=O)c3cccc(CCCOCCOCCOCCOCCC(=O)O)c3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.64
GPR52 Q9Y2T5 5/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 2/20 0.38
GRK2 P25098 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SCD O00767 1/20 0.36
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 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
SCHEMBL16808325 0.90 SLC34A2 (0.79) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL18040407 0.88 SLC34A2 (0.75) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL47055 0.87 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL6001829 0.87 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL46770 0.87 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL44914 0.87 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL15432903 0.85 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1SCD
SCHEMBL15444480 0.85 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL10290125 0.84 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1LMNA
SCHEMBL19595880 0.84 SLC34A2 (0.75) SLC34A2GPR52ROCK2ROCK1MAPK14

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-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed