SCHEMBL13631124

SCHEMBL13631124

CCCc1cc(O)c(OCCCOC)cc1C(=O)N(C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35
USP30 Q70CQ3 5/20 0.34
ANO1 Q5XXA6 2/20 0.33
REN P00797 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTR6 P50406 3/20 0.32
BCHE P06276 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL13434492 0.91 SCN9A (0.37) SCN9AKAT7KAT6AUSP30REN
SCHEMBL13630941 0.88 SCN9A (0.40) SCN9AKAT7KAT6AUSP30ANO1
SCHEMBL13630930 0.88 SCN9A (0.40) SCN9AKAT7KAT6AUSP30ANO1
SCHEMBL13630929 0.86 SCN9A (0.38) SCN9AKAT7KAT6AUSP30ANO1
SCHEMBL13630964 0.85 USP30 (0.41) SCN9AKAT7USP30HTR6BCHE
SCHEMBL13434468 0.83 REN (0.42) SCN9AUSP30ANO1RENGPR119
SCHEMBL13434355 0.83 REN (0.40) SCN9AKAT7KAT6AUSP30REN
SCHEMBL13434374 0.82 SCN9A (0.40) SCN9AKAT7KAT6AUSP30REN
SCHEMBL13434469 0.82 REN (0.40) SCN9AUSP30RENGPR119
SCHEMBL13434503 0.81 SCN9A (0.39) SCN9AKAT7KAT6AUSP30REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed