SCHEMBL40124

SCHEMBL40124

COC(=O)C1CCCCN1CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.53
LTA4H P09960 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL40125 1.00 FKBP1A (0.53) FKBP1ALTA4HSIGMAR1POLBMEN1
SCHEMBL40181 0.90 SIGMAR1 (0.54) FKBP1ASIGMAR1POLB
SCHEMBL40182 0.90 SIGMAR1 (0.54) FKBP1ASIGMAR1POLB
SCHEMBL15444464 0.83 SIGMAR1 (0.43) FKBP1ALTA4HSIGMAR1ALDH1A1CYP3A4
SCHEMBL15432839 0.83 SIGMAR1 (0.43) FKBP1ALTA4HSIGMAR1ALDH1A1CYP3A4
SCHEMBL4283767 0.77 HRH3 (0.56) SIGMAR1ALDH1A1
SCHEMBL7181767 0.77 MEN1 (0.60) FKBP1ALTA4HPOLBMEN1KMT2A
SCHEMBL6540812 0.77 MEN1 (0.60) FKBP1ALTA4HPOLBMEN1KMT2A
SCHEMBL934366 0.77 MMEL1 (0.58) FKBP1ALTA4HPOLBALDH1A1CYP3A4
SCHEMBL2707345 0.77 MMEL1 (0.58) FKBP1ALTA4HPOLBALDH1A1CYP3A4

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