SCHEMBL23912947

SCHEMBL23912947

COC(=O)C[C@@H](C)N(CCOc1ccccc1OCC(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDK2 Q15119 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
UGCG Q16739 2/20 0.34
RBP4 P02753 1/20 0.34
CACNA1B Q00975 1/20 0.33
MCHR1 Q99705 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PRMT5 O14744 1/20 0.33
S1PR1 P21453 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL23904670 0.90 KDM4E (0.40) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL23904672 0.90 KDM4E (0.40) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL23912941 0.85 PDK2 (0.34) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL23904676 0.76 KDM4E (0.38) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL23904673 0.76 KDM4E (0.38) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL23912884 0.75 LMNA (0.42) KDM4EALDH1A1PDK2MEN1KMT2A
SCHEMBL23912946 0.74 ADRA1A (0.54) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL21385385 0.72 MEN1 (0.40) MEN1KMT2A
SCHEMBL17881260 0.72 MEN1 (0.40) MEN1KMT2A
SCHEMBL8543244 0.72 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