SCHEMBL12469235

SCHEMBL12469235

CC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCN(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
F2R P25116 2/20 0.36
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NR5A2 O00482 1/20 0.34

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
N-Oleyldiethanolamine SCHEMBL12469070 0.94 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK1
Cetostearyl Alcohol SCHEMBL27617449 0.88 VCAM1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK1
Tridecan-1-Ol SCHEMBL29043979 0.88 VCAM1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL28034258 0.88 LMNA (0.42) ALDH1A1SMN1; SMN2LMNARECQLF2R
1,6-Hexanediol SCHEMBL887987 0.82 VCAM1 (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
1,6-Hexanediol SCHEMBL27465667 0.82 VCAM1 (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
Stearic Acid SCHEMBL30966112 0.82 VCAM1 (0.46) ALDH1A1MAPTTSHR
SCHEMBL4595346 0.79 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL28375467 0.79 ESR1 (0.42) SMN1; SMN2PTGS2
SCHEMBL100584 0.78 GLRA3 (0.50) ALDH1A1MAPTHTTSMN1; SMN2LMNA

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
EP-2627741-A2 LUBRICATING COMPOSITION CONTAINING MULTIFUNCTIONAL BORATED HYDROXYLATED AMINE SALT OF A HINDERED PHENOLIC ACID Chevron Oronite Company LLC (US) 2013-08-21 EP disclosed
WO-2012051075-A2 LUBRICATING COMPOSITION CONTAINING MULTIFUNCTIONAL BORATED HYDROXYLATED AMINE SALT OF A HINDERED PHENOLIC ACID CHEVRON ORONITE COMPANY LLC (US) 2012-04-19 WO disclosed