SCHEMBL28209239

SCHEMBL28209239

C=CC(=O)OCC=CCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 4/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 3/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL4772460 0.89 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7151789 0.85 HPGD (0.55) TSHRHPGDTP53CYP3A4HSD17B10
SCHEMBL27843204 0.85 HPGD (0.55) TSHRHPGDTP53CYP3A4HSD17B10
SCHEMBL27843203 0.85 HPGD (0.55) TSHRHPGDTP53CYP3A4HSD17B10
SCHEMBL19620226 0.85 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19846628 0.85 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29417881 0.85 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5586275 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8961953 0.82 HCAR2 (0.35) TSHRHPGDHCAR2PTGS1
SCHEMBL30929766 0.82 MAPT (0.47) ALDH1A1HCAR2PTGS1

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
CN-107936906-A A kind of OLED Protection glues and preparation method thereof 东莞市贝特利新材料有限公司 2018-04-20 CN claimed