SCHEMBL45567

SCHEMBL45567

COC(=O)c1cccc(C)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.53
BCL3 P20749 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL27362945 0.88 POLB (0.66) CYP2C9CYP2C19POLBALDH1A1TSHR
SCHEMBL28602004 0.83 POLB (0.60) CYP2C9CYP2C19POLBBCL3MEN1
SCHEMBL13164059 0.83 MEN1 (0.66) POLBALDH1A1BCL3MEN1KMT2A
SCHEMBL280010 0.81 P2RX7 (0.59) POLBALDH1A1BCL3MEN1KMT2A
SCHEMBL29530276 0.77 LMNA (0.73) CYP2C9CYP2C19POLBLMNAALDH1A1
SCHEMBL10363079 0.77 ALDH1A1 (0.61) POLBLMNAALDH1A1BCL3GAA
SCHEMBL16431474 0.76 BCL3 (0.76) POLBLMNAALDH1A1BCL3GAA
SCHEMBL29849750 0.76 BCL3 (0.76) POLBLMNAALDH1A1BCL3GAA
SCHEMBL7298894 0.76 ALDH1A1 (0.56) CYP2C9CYP2C19POLBLMNAALDH1A1
SCHEMBL2362567 0.76 POLB (0.66) POLBLMNAALDH1A1BCL3TSHR

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