SCHEMBL18059153

SCHEMBL18059153

CC(C)Oc1ccc(Cc2cccc(CSCCC(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.49
MAPK14 Q16539 1/20 0.39
ROS1 P08922 1/20 0.38
MLYCD O95822 1/20 0.38
GPR52 Q9Y2T5 4/20 0.38
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 1/20 0.36
GRK2 P25098 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
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL40143 0.90 SLC34A2 (0.61) SLC34A2MAPK14ROS1MLYCDROCK2
SCHEMBL18059173 0.88 SLC34A2 (0.45) SLC34A2MAPK14MLYCDGPR52ROCK2
SCHEMBL18059182 0.84 SLC34A2 (0.55) SLC34A2MAPK14MLYCDGPR52ROCK2
SCHEMBL40087 0.82 SLC34A2 (0.61) SLC34A2MAPK14MLYCDGPR52ROCK2
SCHEMBL46448 0.81 SLC34A2 (0.69) SLC34A2MAPK14ROS1MLYCDROCK2
SCHEMBL45407 0.80 SLC34A2 (0.63) SLC34A2MAPK14MLYCDROCK2ROCK1
SCHEMBL46451 0.80 SLC34A2 (0.63) SLC34A2MAPK14MLYCDROCK2ROCK1
SCHEMBL39846 0.78 SLC34A2 (0.63) SLC34A2MAPK14MLYCDGPR52ROCK2
SCHEMBL39854 0.78 SLC34A2 (0.56) SLC34A2MAPK14ROCK2ROCK1
SCHEMBL39957 0.78 MAPK14 (0.50) SLC34A2MAPK14ROS1MLYCDROCK2

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