SCHEMBL6209827

SCHEMBL6209827

C=CC(=O)OC(COCC(=C)C)COCC(=C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL28584448 0.79 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26305554 0.77 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2809234 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4464394 0.75 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13383386 0.75 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16260091 0.74 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4349644 0.74 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL18116697 0.74 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26754594 0.73 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1445603 0.73 TSHR (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510197-B1 Dental coating material IVOCLAR VIVADENT AG (LI) 2016-03-09 EP disclosed
EP-1510197-A1 Dental coating material Firma Ivoclar Vivadent AG (LI) 2005-03-02 EP disclosed