SCHEMBL784532

SCHEMBL784532

C=CC(=O)OCOC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 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
SCHEMBL784451 0.80 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268400 0.77 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29197561 0.76 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14582994 0.76 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28489000 0.75 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL784448 0.74 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2425102 0.72 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL784536 0.71 TSHR (0.41) TSHRALDH1A1MAPK1
SCHEMBL8458950 0.71 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL784697 0.71 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A

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-8708474-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8668322-B2 2014-03-11 US disclosed
US-20120069083-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed