SCHEMBL19953391

SCHEMBL19953391

CC(C)(O)CN(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 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
SCHEMBL27269854 0.91 CYP1A2 (0.33) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL25372183 0.87 CYP1A2 (0.42) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL14503939 0.87 MAPT (0.32) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL25374575 0.87 ALDH1A1 (0.35) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL7168637 0.80 MAPT (0.38) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL28258709 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21618434 0.79 MAPT (0.33) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL1813722 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL13296464 0.78 CA12 (0.33) ALDH1A1KDM4E
SCHEMBL6653199 0.77 MAPT (0.33) MAPTHPGDMAPK1KDM4ESMN1; SMN2

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-2018048480-A1 GROUP 4 TRANSITION METAL-CONTAINING FILM FORMING COMPOSITIONS FOR VAPOR DEPOSITION OF GROUP 4 TRANSITION METAL-CONTAINING FILMS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2018-03-15 WO disclosed