SCHEMBL12761978

SCHEMBL12761978

C=CC(=O)OCCOCCCOCC(CC)CCCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.69
ALDH1A1 P00352 6/20 0.51
TP53 P04637 2/20 0.51
HIF1A Q16665 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 1/20 0.51
CYP3A4 P08684 5/20 0.50
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 2/20 0.46
THRB P10828 1/20 0.44
CA2 P00918 1/20 0.41
RECQL P46063 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL26920574 0.97 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8625740 0.97 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL57953 0.97 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2302481 0.96 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8066052 0.86 TSHR (0.78) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30849284 0.86 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29531836 0.86 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29808254 0.86 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30792595 0.85 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19352653 0.84 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10

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-7897322-B2 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-01 US disclosed
US-7741380-B2 Polymerization initiator; and (meth)acrylic acid or monofunctional (meth)acrylic acid ester or amide each having a carboxy group in the molecule, e.g., mono(acryloyloxyethyl) succinate; cured with high sensitivity by ultrarviolet radiation; provides a high quality and sufficiently flexible image FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20070146431-A1 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-06-28 US disclosed
US-20070071953-A1 Polymerization initiator; and (meth)acrylic acid or monofunctional (meth)acrylic acid ester or amide each having a carboxy group in the molecule, e.g., mono(acryloyloxyethyl) succinate; cured with high sensitivity by ultrarviolet radiation; provides a high quality and sufficiently flexible image FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed