SCHEMBL1104094

SCHEMBL1104094

C=CC(=O)OCC(O)COC(=O)CCC(=O)OCCOC(=O)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 5/20 0.40
LPAR1 Q92633 7/20 0.36
LPAR4 Q99677 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR3 Q9UBY5 3/20 0.36
ENPP2 Q13822 3/20 0.36
LPAR6 P43657 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL25516001 0.90 THRB (0.40) THRBTSHRLPAR1LPAR4LPAR5
SCHEMBL12565572 0.87 THRB (0.48) THRBTSHRLPAR5HPGDALDH1A1
SCHEMBL1104109 0.86 TSHR (0.49) THRBTSHRLPAR1LPAR4LPAR5
SCHEMBL25784302 0.84 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL25784313 0.84 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL25863843 0.83 TSHR (0.41) THRBTSHRLPAR1LPAR4LPAR5
SCHEMBL1104101 0.82 TSHR (0.40) THRBTSHRLPAR1LPAR4LPAR5
SCHEMBL749916 0.80 THRB (0.57) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3412116 0.80 TSHR (0.53) TSHRLPAR1LPAR4LPAR5LPAR2
SCHEMBL13557205 0.78 DGKA (0.45) TSHRALDH1A1HSD17B10DGKA

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-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed