SCHEMBL18059173

SCHEMBL18059173

CC(C)(C)OC(=O)CCSCc1cccc(Cc2ccc(OC3CCOCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.45
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.37
RAF1 P04049 8/20 0.36
BRAF P15056 7/20 0.36
ROCK2 O75116 2/20 0.36
MAPK14 Q16539 1/20 0.35
ROCK1 Q13464 1/20 0.35
GPR52 Q9Y2T5 2/20 0.35
GLS O94925 1/20 0.35
MLYCD O95822 1/20 0.34

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
SCHEMBL39854 0.91 SLC34A2 (0.56) SLC34A2MAPK1RAF1BRAFROCK2
SCHEMBL18059153 0.88 SLC34A2 (0.49) SLC34A2ROCK2MAPK14ROCK1GPR52
SCHEMBL46660 0.82 SLC34A2 (0.62) SLC34A2MAPK1RAF1BRAFROCK2
SCHEMBL18059182 0.80 SLC34A2 (0.55) SLC34A2ROCK2MAPK14ROCK1GPR52
SCHEMBL39901 0.79 MAPK1 (0.56) SLC34A2MAPK1EPHX2RAF1BRAF
SCHEMBL40087 0.78 SLC34A2 (0.61) SLC34A2ROCK2MAPK14ROCK1GPR52
SCHEMBL40143 0.78 SLC34A2 (0.61) SLC34A2ROCK2MAPK14ROCK1MLYCD
SCHEMBL40151 0.78 MAPK1 (0.49) SLC34A2MAPK1EPHX2RAF1BRAF
SCHEMBL39717 0.77 SLC34A2 (0.57) SLC34A2RAF1BRAF
SCHEMBL18482323 0.77 SLC34A2 (0.53) SLC34A2MAPK1EPHX2RAF1BRAF

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