SCHEMBL40126

SCHEMBL40126

CC(CN1CCCCC1C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
FKBP1A P62942 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A1 P30531 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
POLB P06746 1/20 0.42
OPRK1 P41145 3/20 0.42
CD274 Q9NZQ7 1/20 0.42
PREP P48147 1/20 0.41

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
SCHEMBL40181 0.81 SIGMAR1 (0.54) SIGMAR1FKBP1ASMN1; SMN2SLC6A1POLB
SCHEMBL40182 0.81 SIGMAR1 (0.54) SIGMAR1FKBP1ASMN1; SMN2SLC6A1POLB
SCHEMBL10660541 0.77 ACE (0.54) SMN1; SMN2PREP
SCHEMBL5732641 0.76 ACE (0.47) SMN1; SMN2PREP
SCHEMBL22798190 0.76 ACE (0.53) SIGMAR1SMN1; SMN2PREP
SCHEMBL18619556 0.76 ACE (0.53) SIGMAR1SMN1; SMN2PREP
SCHEMBL18734805 0.76 SMN1; SMN2 (0.51) SIGMAR1FKBP1ASMN1; SMN2SLC6A1POLB
SCHEMBL19880370 0.76 SMN1; SMN2 (0.51) SIGMAR1FKBP1ASMN1; SMN2SLC6A1POLB
SCHEMBL19880369 0.76 SMN1; SMN2 (0.51) SIGMAR1FKBP1ASMN1; SMN2SLC6A1POLB
SCHEMBL2188473 0.75 CTSK (0.49) SIGMAR1SMN1; SMN2CTSLCTSBCTSS

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