SCHEMBL7322787

SCHEMBL7322787

CC(C)NC(C)C(C)(O)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
SSTR4 P31391 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4993240 0.78 EPHX1 (0.31) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL13640056 0.78 EPHX1 (0.31) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL13640033 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11741166 0.72
SCHEMBL23777181 0.71
SCHEMBL27284402 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27669782 0.67 TP53 (0.30) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL15151738 0.66 EPHX1 (0.35) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL8502985 0.66 LMNA (0.38) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL9897847 0.66 LMNA (0.38) EPHX1SSTR4PDK1PDK2PDK3

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-0389898-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-03 EP disclosed