SCHEMBL18040407

SCHEMBL18040407

CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCNC(=O)c3ccc(CCCOCCOCCOCCOCCC(=O)O)cc3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.75
GPR52 Q9Y2T5 4/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK14 Q16539 1/20 0.37
KDM1A O60341 2/20 0.37
HDAC1 Q13547 2/20 0.37
PPARG P37231 2/20 0.36
MLYCD O95822 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLK1 P53350 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
PPARA Q07869 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 0.98 SLC34A2 (0.79) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL46770 0.95 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL44914 0.95 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL47055 0.95 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL6001829 0.95 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL15444480 0.93 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL10290125 0.92 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1MLYCD
SCHEMBL15432903 0.92 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1MAPK14
SCHEMBL16355247 0.91 SLC34A2 (0.68) SLC34A2GPR52ROCK2ROCK1KDM1A
SCHEMBL15432885 0.90 SLC34A2 (0.69) SLC34A2GPR52ROCK2ROCK1KDM1A

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed