SCHEMBL732790

SCHEMBL732790

CCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RIPK1 Q13546 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL12411572 0.95 ALDH1A1 (0.38) ALDH1A1PPARGPPARDPPARAMAPK1
SCHEMBL13108658 0.93 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL14448187 0.92 ALDH1A1 (0.39) ALDH1A1PPARGPPARDPPARAMAPK1
SCHEMBL733325 0.89 ALDH1A1 (0.47) ALDH1A1PPARGPPARDPPARAMAPK1
SCHEMBL16706570 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL16706567 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL13202802 0.85 ALDH1A1 (0.36) ALDH1A1PPARGPPARDPPARAMAPK1
SCHEMBL21861840 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL12890635 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1TDP1L3MBTL1KMT2A
SCHEMBL12890758 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1TDP1L3MBTL1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530139-B2 Solvent for printing, pattern composition for printing comprising the solvent, and patterning method using the composition LG DISPLAY CO., LTD. (KR) 2013-09-10 US disclosed
US-20120175572-A1 SOLVENT FOR PRINTING, PATTERN COMPOSITION FOR PRINTING COMPRISING THE SOLVENT, AND PATTERNING METHOD USING THE COMPOSITION YOO HONG SUK (US) 2012-07-12 US disclosed
US-8137889-B2 Solvent for printing, pattern composition for printing comprising the solvent, and patterning method using the composition LG DISPLAY CO., LTD. (KR) 2012-03-20 US disclosed
US-20070009835-A1 Solvent for printing, pattern composition for printing comprising the solvent, and patterning method using the composition LG PHILIPS LCD CO., LTD. 2007-01-11 US disclosed