SCHEMBL11035261

SCHEMBL11035261

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.38
CASP1 P29466 2/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACE P12821 3/20 0.33
FKBP1A P62942 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33

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 1.00 PREP (0.38) PREPCASP1LMNAMAPK1SMN1; SMN2
SCHEMBL11045501 1.00 PREP (0.38) PREPCASP1LMNAMAPK1SMN1; SMN2
SCHEMBL11033625 0.98 PREP (0.36) PREPCASP1LMNAMAPK1SMN1; SMN2
SCHEMBL10958744 0.85 PREP (0.44) PREPLMNAACEFKBP1AMEN1
SCHEMBL10960908 0.85 PREP (0.44) PREPLMNAACEFKBP1AMEN1
SCHEMBL10960000 0.85 PREP (0.44) PREPLMNAACEFKBP1AMEN1
SCHEMBL10960970 0.85 PREP (0.44) PREPLMNAACEFKBP1AMEN1
SCHEMBL10788524 0.83 DPP4 (0.39) PREPSMN1; SMN2SIGMAR1ACEFKBP1A
SCHEMBL10957344 0.83 PREP (0.42) PREPACEFKBP1AMEN1KMT2A
SCHEMBL10437288 0.81 ACE (0.41) PREPLMNASMN1; SMN2ACEMEN1

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