SCHEMBL23912941

SCHEMBL23912941

C[C@H](CC(=O)ON1C(=O)c2ccccc2C1=O)N(CCOc1ccccc1OCC(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
TSHR P16473 1/20 0.33
TNF P01375 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
UGCG Q16739 5/20 0.32
KDM4E B2RXH2 3/20 0.32
GALR3 O60755 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL23912947 0.85 ADRA1D (0.38) PDK2ALDH1A1UGCGKDM4EADRA1D
SCHEMBL23904672 0.83 KDM4E (0.40) PDK2ALDH1A1KDM4EADRA1DADRA1A
SCHEMBL23904670 0.83 KDM4E (0.40) PDK2ALDH1A1KDM4EADRA1DADRA1A
SCHEMBL23912942 0.83 TSHR (0.37) PDK2TSHRALDH1A1MAPTUGCG
SCHEMBL4281260 0.71 GAA (0.46) ALDH1A1SMN1; SMN2
SCHEMBL23904676 0.70 KDM4E (0.38) ALDH1A1KDM4EADRA1DADRA1AADRA1B
SCHEMBL23904673 0.70 KDM4E (0.38) ALDH1A1KDM4EADRA1DADRA1AADRA1B
SCHEMBL23912884 0.68 LMNA (0.42) PDK2ALDH1A1MAPTUGCGKDM4E
SCHEMBL8543244 0.67 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL7902963 0.67 ADRA1D (0.45) ADRA1DADRA1AADRA1B

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