SCHEMBL18870901

SCHEMBL18870901

C=C(C)CNC=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MAPT P10636 7/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.31
GLA P06280 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP3A4 P08684 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
SCHEMBL18871486 0.73 ALDH1A1 (0.31) ALDH1A1MAPTPOLBL3MBTL1KDM4E
SCHEMBL9803718 0.72 ALDH1A1 (0.37) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL17873494 0.70 MAPT (0.40) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL18871435 0.70 ALDH1A1 (0.43) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL18871080 0.70 ALDH1A1 (0.35) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL18871132 0.69 ALDH1A1 (0.33) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL12858871 0.68 ALDH1A1 (0.37) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL18871099 0.68 ALDH1A1 (0.33) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL17887349 0.68 MAPT (0.33) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL18871415 0.68 MAPT (0.33) ALDH1A1MAPTPOLBL3MBTL1GAA

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-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 EP disclosed