SCHEMBL879162

SCHEMBL879162

CCOCCOCCOC(=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 4/20 0.58
THRB P10828 1/20 0.50
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL16021805 1.00 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL4676252 0.98 ALDH1A1 (0.60) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL863288 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL2213077 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL7637824 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
Diethylene Glycol Diisobutanoate SCHEMBL9561713 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL863128 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL863125 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL12390088 0.86 HSD17B10 (0.43) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL10233231 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRBHSD17B10GAA

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-8168694-B2 Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
EP-1273970-B1 Positive photosensitive composition FUJIFILM CORP (JP) 2012-03-28 EP disclosed