SCHEMBL23912942

SCHEMBL23912942

CC(C)(C)OC(=O)N(CCOc1ccccc1OCC(F)(F)F)CCC(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PDK2 Q15119 2/20 0.35
UGCG Q16739 5/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL23912941 0.83 PDK2 (0.34) TSHRPDK2UGCGHCRTR1HCRTR2
SCHEMBL23912884 0.82 LMNA (0.42) PDK2UGCGHCRTR1HCRTR2ALDH1A1
SCHEMBL14238192 0.69 GAA (0.43) ALDH1A1
SCHEMBL31054935 0.68 PDK2 (0.38) PDK2ALDH1A1MAPT
SCHEMBL23912947 0.68 ADRA1D (0.38) PDK2UGCGHCRTR1HCRTR2ALDH1A1
SCHEMBL23904672 0.68 KDM4E (0.40) PDK2HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL23904670 0.68 KDM4E (0.40) PDK2HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL23923224 0.67 KMT2A (0.35)
SCHEMBL30278711 0.67 KMT2A (0.35)
SCHEMBL14234032 0.67 GAA (0.43) ALDH1A1MAPT

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-3892615-A1 PROCESS FOR THE PREPARATION OF SILODOSIN Minakem (FR) 2021-10-13 EP disclosed