SCHEMBL46887

SCHEMBL46887

CN(CCOCCOCCOCCC(=O)O)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-c2cc(C(N)=O)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
KCNH2 Q12809 2/20 0.37
ATR Q13535 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TOP2A P11388 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SERPINE1 P05121 2/20 0.34
F10 P00742 5/20 0.34
ALDH1A1 P00352 2/20 0.34
KLKB1 P03952 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KCNMA1 Q12791 1/20 0.33
SUCNR1 Q9BXA5 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
SCHEMBL46823 0.85 SLC34A2 (0.68) SLC34A2LMNARAB9A
SCHEMBL19595926 0.84 SLC34A2 (0.46) SLC34A2KCNH2TOP2AALDH1A1NPC1
SCHEMBL15432870 0.83 TAS1R3 (0.46) SLC34A2ALDH1A1KDM4ELMNA
SCHEMBL18482346 0.79 SLC34A2 (0.38) SLC34A2KCNH2NPC1RAB9A
SCHEMBL45704 0.78 MEN1 (0.45) ATRCYP4F2CYP4A11F10KDM4E
SCHEMBL19595990 0.78 SLC34A2 (0.47) SLC34A2ATRALDH1A1NPC1LMNA
SCHEMBL15444448 0.77 SLC34A2 (0.60) SLC34A2CYP4F2CYP4A11LMNA
SCHEMBL19595763 0.77 SLC34A2 (0.62) SLC34A2TOP2AALDH1A1NPC1LMNA
SCHEMBL19595744 0.77 SLC34A2 (0.62) SLC34A2TOP2AALDH1A1NPC1LMNA
SCHEMBL19596067 0.77 SLC34A2 (0.62) SLC34A2TOP2AALDH1A1NPC1LMNA

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 2 patents. 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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed