SCHEMBL18059162

SCHEMBL18059162

O=C(O)CCOCCOCCOCCNC(=O)c1cccc(SCc2cccc(Cc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.49
GPR52 Q9Y2T5 4/20 0.38
BRAF P15056 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MLYCD O95822 1/20 0.34
USP2 O75604 1/20 0.34
TLR9 Q9NR96 1/20 0.34
RAF1 P04049 1/20 0.33
DDR2 Q16832 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33

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
SCHEMBL15421013 0.91 SLC34A2 (0.61) SLC34A2GPR52BRAFHRH3ROCK2
SCHEMBL18059161 0.90 KDM4C (0.42) SLC34A2BRAFROCK2KDM4EMLYCD
SCHEMBL39796 0.85 SLC34A2 (0.67) SLC34A2GPR52BRAFHRH3ROCK2
SCHEMBL46969 0.84 SLC34A2 (0.54) SLC34A2GPR52BRAFHRH3ROCK2
SCHEMBL15432716 0.83 SLC34A2 (0.62) SLC34A2BRAFROCK2ROCK1KDM4E
SCHEMBL18059177 0.83 SLC34A2 (0.46) SLC34A2BRAFROCK2KDM4EMLYCD
SCHEMBL16355205 0.82 SLC34A2 (0.61) SLC34A2BRAFROCK2ROCK1KDM4E
SCHEMBL16355215 0.81 SLC34A2 (0.70) SLC34A2GPR52BRAFROCK2ROCK1
SCHEMBL15432766 0.81 SLC34A2 (0.70) SLC34A2GPR52BRAFROCK2ROCK1
SCHEMBL19580025 0.81 SLC34A2 (0.75) SLC34A2BRAFROCK2ROCK1KDM4E

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