SCHEMBL28072506

SCHEMBL28072506

C=CC(=O)OCC(O)C=C(C)C(=O)OCCO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
THRB P10828 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
SCHEMBL28049970 0.78 TSHR (0.34) TSHR
SCHEMBL28040661 0.78 ACHE (0.36) TSHRTHRB
SCHEMBL2461481 0.78 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25234309 0.75 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
Propylene Glycol SCHEMBL28111564 0.74 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27482185 0.74 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7035394 0.74 TSHR (0.36) TSHRALDH1A1
SCHEMBL27808585 0.74 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL932598 0.73 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28790908 0.72 TSHR (0.38) TSHRALDH1A1SMN1; SMN2MAPT

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-105802482-A Waterborne radiation curing coating decorative plate and preparation method thereof 珠海市佳伟力环保科技有限公司 2016-07-27 CN disclosed