SCHEMBL45692

SCHEMBL45692

CC(C)(C)C(O)CCOCCOCCOCCOCCCc1cccc(C(=O)Nc2ccc(Cl)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CFD P00746 2/20 0.40
LMNA P02545 2/20 0.40
PRSS12 P56730 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 5/20 0.38
ACKR3 P25106 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
XIAP P98170 1/20 0.37
BIRC3 Q13489 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL18040380 0.91 KMT2A (0.40) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL44828 0.89 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL44827 0.89 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL6002315 0.89 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL2732036 0.89 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL16804659 0.81 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL2720613 0.81 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL2720610 0.81 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL16923856 0.81 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL6001581 0.80 SLC34A2 (0.46) TAS1R3TAS1R1TAS1R2KMT2AMEN1

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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed