SCHEMBL2732036

SCHEMBL2732036

O=C(O)CCOCCOCCOCCOCCCc1cccc(C(=O)Nc2ccc(Cl)cc2-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TAS1R2 Q8TE23 2/20 0.49
PRSS12 P56730 2/20 0.44
DHODH Q02127 2/20 0.44
CFD P00746 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
SLC34A2 O95436 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ACKR3 P25106 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL6002315 1.00 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2PRSS12DHODH
SCHEMBL44828 0.91 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2PRSS12DHODH
SCHEMBL44827 0.91 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2PRSS12DHODH
SCHEMBL16924076 0.91 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2PRSS12DHODH
SCHEMBL15444467 0.90 MEN1 (0.41) TAS1R3TAS1R1TAS1R2CFDMEN1
SCHEMBL18471366 0.90 MEN1 (0.41) TAS1R3TAS1R1TAS1R2CFDMEN1
SCHEMBL15432931 0.90 MEN1 (0.41) TAS1R3TAS1R1TAS1R2CFDMEN1
SCHEMBL15432965 0.90 MEN1 (0.41) TAS1R3TAS1R1TAS1R2CFDMEN1
SCHEMBL16778089 0.89 SLC34A2 (0.54) TAS1R3TAS1R1TAS1R2CFDMEN1
SCHEMBL15432874 0.89 LMNA (0.42) TAS1R3TAS1R1TAS1R2CFDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed