SCHEMBL9449486

SCHEMBL9449486

[CH2]CN1C[C@@H](C)O[C@H](C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
EBP Q15125 2/20 0.48
PDK1 Q15118 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2A13 Q16696 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1784863 1.00 SIGMAR1 (0.48) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL2552938 0.80 SIGMAR1 (0.55) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL11962148 0.76 SIGMAR1 (0.56) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL12125047 0.76 SIGMAR1 (0.56) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL12125120 0.76 SIGMAR1 (0.56) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL4550370 0.76 SIGMAR1 (0.56) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL14782687 0.75
SCHEMBL17012154 0.74 SIGMAR1 (0.48) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL13177783 0.74 SIGMAR1 (0.48) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL14067375 0.74 SIGMAR1 (0.48) SIGMAR1EBPPDK1KDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5199970-A Preemergence; postemergence; monocotyledonous weeds; moderately toxic ALKALOIDA VEGYESZETI GYAR (HU) 1993-04-06 US disclosed
EP-0426491-A2 Herbicidal, optically active or racemic substituted propionic acid derivatives, herbicide compositions containing them and process for preparing same ALKALOIDA VEGYESZETI GYAR (HU) 1991-05-08 EP disclosed