SCHEMBL11033625

SCHEMBL11033625

O=C(OCc1ccccc1)O[C@H]1C[C@H]2CCC[C@H]2N1C(=O)CCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.36
DPP4 P27487 1/20 0.35
CYP3A4 P08684 1/20 0.33
ACE P12821 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
CASP1 P29466 2/20 0.32
STS P08842 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11034295 0.98 PREP (0.38) PREPDPP4ACEMEN1KMT2A
SCHEMBL11045501 0.98 PREP (0.38) PREPDPP4ACEMEN1KMT2A
SCHEMBL11035261 0.98 PREP (0.38) PREPDPP4ACEMEN1KMT2A
SCHEMBL10788524 0.85 DPP4 (0.39) PREPDPP4CYP3A4ACEALOX15
SCHEMBL10957344 0.85 PREP (0.42) PREPCYP3A4ACEALOX15MEN1
SCHEMBL10437288 0.83 ACE (0.41) PREPDPP4CYP3A4ACEALOX15
SCHEMBL10958744 0.83 PREP (0.44) PREPACEMEN1KMT2ALMNA
SCHEMBL10960000 0.83 PREP (0.44) PREPACEMEN1KMT2ALMNA
SCHEMBL10960908 0.83 PREP (0.44) PREPACEMEN1KMT2ALMNA
SCHEMBL10960970 0.83 PREP (0.44) PREPACEMEN1KMT2ALMNA

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-0126986-A1 Process for producing N-alkylated dipeptides and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 EP disclosed