SCHEMBL40145

SCHEMBL40145

CC(C)(C)OC(=O)CCOCCOCCOCCOCCCc1cccc(C(=O)Nc2ccc(OC3CCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CFD P00746 2/20 0.39
LMNA P02545 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAOK1 Q7L7X3 4/20 0.36
TAOK3 Q9H2K8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL15432930 1.00 KMT2A (0.40) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL15444467 0.92 MEN1 (0.41) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL15432931 0.92 MEN1 (0.41) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL18482365 0.91 MEN1 (0.39) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL44827 0.91 TAS1R3 (0.45) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL44828 0.91 TAS1R3 (0.45) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL18471366 0.90 MEN1 (0.41) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL15432965 0.90 MEN1 (0.41) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL18040380 0.90 KMT2A (0.40) KMT2AMEN1CFDLMNATAS1R3
SCHEMBL40206 0.88 TAOK1 (0.39) KMT2AMEN1CFDLMNATAS1R3

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 4 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
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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed