SCHEMBL6684766

SCHEMBL6684766

C=CC(=O)OCCC(C)CCC(=C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.37
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30541769 0.89 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29732580 0.88 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL367337 0.79 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30579001 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12266939 0.78 ALOX15 (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7740688 0.78 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1899131 0.78 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12198799 0.78 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6854700 0.78 TSHR (0.46) 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-1224926-B1 Dental material containing metal oxide clusters IVOCLAR VIVADENT AG (LI) 2004-11-17 EP disclosed
EP-1224926-A1 Dental material containing metal oxide clusters Ivoclar Vivadent AG (LI) 2002-07-24 EP disclosed