SCHEMBL3861027

SCHEMBL3861027

C=C(C)C(=O)OCCOCCOCC.C=C(CCCOc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
Methacrylic Acid SCHEMBL20496129 0.84 POLB (0.55) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL910146 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL1173746 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL152506 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL1524744 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL1524320 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL437611 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL1524479 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL1524269 0.84 POLB (0.57) THRBSMN1; SMN2TDP1POLBAPEX1
SCHEMBL29035738 0.82 POLB (0.56) THRBSMN1; SMN2TDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123722-A1 Ink jet recording ink SEIKO EPSON CORPORATION (JP) 2009-11-25 EP disclosed