SCHEMBL12835641

SCHEMBL12835641

C=CC(=O)OC(C)(C)COC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.36
TSHR P16473 6/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6570872 0.85 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14000138 0.83 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24711395 0.83 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20060321 0.83 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14509386 0.82 ALDH1A1 (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22563728 0.82 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10066327 0.81 TSHR (0.36) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25382779 0.80 ALDH1A1 (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL23619044 0.79 THRB (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20112814 0.79 THRB (0.37) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-2298841-A1 Ink composition, and inkjet recording method FUJIFILM Corporation (JP) 2011-03-23 EP disclosed
EP-2230284-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-09-22 EP disclosed