SCHEMBL12761981

SCHEMBL12761981

C=CC(=O)OCCCOCCCCO

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 2/20 0.67
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 1/20 0.61
HPGD P15428 1/20 0.55
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
APP P05067 2/20 0.38
ATM Q13315 1/20 0.35
ACHE P22303 6/20 0.35

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
SCHEMBL5933811 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8850611 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL11516246 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8850411 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL5933756 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8851442 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL5666397 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12200486 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12200482 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL15373475 0.94 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A

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