SCHEMBL4732095

SCHEMBL4732095

CC(C)OC(=O)C(=CC(=O)O)OOC(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 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
SCHEMBL10697393 0.74 MAPK1 (0.36) MAPK1ALDH1A1ALOX15
SCHEMBL8166385 0.73 MAPK1 (0.42) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL8740112 0.73 MAPK1 (0.57) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL8740114 0.73 MAPK1 (0.57) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL10455289 0.72 MAPK1 (0.41) MAPK1GAASMN1; SMN2ALDH1A1ALOX15
SCHEMBL29433631 0.71 MAPK1 (0.55) MAPK1SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL27773594 0.71 MAPK1 (0.55) MAPK1GAASMN1; SMN2ALDH1A1ALOX15
SCHEMBL4732096 0.69 MAPK1 (0.44) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL10497538 0.69 MAPK1 (0.38) MAPK1GAASMN1; SMN2ALDH1A1ALOX15
Propane SCHEMBL10714828 0.69 MAPK1 (0.38) MAPK1GAASMN1; SMN2ALDH1A1ALOX15

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-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US disclosed
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed