SCHEMBL8255877

SCHEMBL8255877

CC(C)(NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.53
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.50
▸ ACE P12821 1/20 0.47
▸ PREP P48147 5/20 0.47
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL3470628 0.87 FKBP1A (0.54) FKBP1AACETSHRALDH1A1CYP3A4
SCHEMBL13928436 0.87 FKBP1A (0.50) FKBP1AACEPREPTSHRALDH1A1
SCHEMBL9518270 0.80 PREP (0.68) FKBP1ASPHK2SPHK1ACEPREP
SCHEMBL1437568 0.80 PREP (0.64) SPHK2SPHK1PREPTSHRCYP3A4
SCHEMBL475629 0.80 PREP (0.64) SPHK2SPHK1PREPTSHRCYP3A4
SCHEMBL809457 0.80 PREP (0.64) SPHK2SPHK1PREPTSHRCYP3A4
SCHEMBL8665486 0.80 ACE (0.53) FKBP1AACEPREPTSHRALDH1A1
SCHEMBL14174437 0.79 CMA1 (0.48) FKBP1AACEPREPTSHRALDH1A1
SCHEMBL18701774 0.77 FKBP1A (0.65) FKBP1APREP
SCHEMBL18701786 0.77 FKBP1A (0.65) FKBP1APREP

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
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 — — WO disclosed
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