SCHEMBL45704

SCHEMBL45704

CN(CCOCCOCCOCCC(=O)O)C(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.39
PARP1 P09874 7/20 0.38
F10 P00742 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ATR Q13535 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PARP10 Q53GL7 1/20 0.36
FOLH1 Q04609 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL40283 0.85 ACACB (0.39) MEN1KMT2ARAB9APARP1F10
SCHEMBL46887 0.78 SLC34A2 (0.47) RAB9AF10ATRKDM4ECYP4F2
SCHEMBL3646900 0.77 MEN1 (0.51) MEN1KMT2APARP1SIRT2PARP10
SCHEMBL15088186 0.74 ADRA2C (0.44) MEN1KMT2ARAB9AF10FOLH1
SCHEMBL9717435 0.74 MEN1 (0.45) MEN1KMT2APARP1PARP10
SCHEMBL24968900 0.73 FOLH1 (0.42) PARP1CYP4F2CYP4A11FOLH1
SCHEMBL5020909 0.71 LMNA (0.49) MEN1KMT2ARAB9AFOLH1CDK4
SCHEMBL15444430 0.71 CYP4F2 (0.38) PARP1CYP4F2CYP4A11
SCHEMBL128134 0.70 PARP1 (0.57) MEN1KMT2APARP1F10PARP10
Adipic Acid SCHEMBL28590163 0.70 MEN1 (0.57) MEN1KMT2APARP1PARP10

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-2590965-A2 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
WO-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed