SCHEMBL14028858

SCHEMBL14028858

C=CC(=O)OCCCCCC(=O)OCC(COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 2/20 0.63
TP53 P04637 3/20 0.49
HIF1A Q16665 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
THRB P10828 2/20 0.45
HSD17B10 Q99714 1/20 0.44
DGKA P23743 1/20 0.38
LMNA P02545 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.33
DNM1 Q05193 1/20 0.33
HTR2C P28335 1/20 0.32

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
SCHEMBL13706575 0.95 TSHR (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL14028861 0.95 TSHR (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL268328 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL268166 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL268194 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27055812 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27055811 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27055807 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27055800 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27055813 0.91 ALDH1A1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255297-A1 INK-JET INK CHISSO CORPORATION (JP) 2008-10-16 US disclosed