SCHEMBL5162430

SCHEMBL5162430

O=C(O)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 2/20 0.66
TP53 P04637 1/20 0.66
ALDH1A1 P00352 6/20 0.64
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
PPARA Q07869 3/20 0.50
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL5162420 0.95 TSHR (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL3207717 0.94 TSHR (0.65) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL32680573 0.93 ALDH1A1 (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL32680574 0.93 ALDH1A1 (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
Sebacic Acid SCHEMBL27848500 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
Adipic Acid SCHEMBL28088267 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
Adipic Acid SCHEMBL9787253 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
Palmitic Acid SCHEMBL28150013 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
Sebacic Acid SCHEMBL28015861 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
Adipic Acid SCHEMBL5539742 0.91 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179211-A1 Energy-curable intaglio printing SUN CHEMICAL CORPORATIN (US) 2007-08-02 US disclosed
EP-1751241-A1 ENERGY-CURABLE INTAGLIO PRINTING INKS Sun Chemical Corporation (US) 2007-02-14 EP disclosed
WO-2005097927-A1 ENERGY-CURABLE INTAGLIO PRINTING INKS SUN CHEMICAL CORPORATION (US) 2005-10-20 WO disclosed