SCHEMBL4389201

SCHEMBL4389201

C=CC(=O)OCCOC1CC2CC1C1C(SCCC(=O)O)CCC21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL4382426 0.86
SCHEMBL4384797 0.76
SCHEMBL14302996 0.76 TSHR (0.40) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL10085528 0.76 TSHR (0.40) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL90823 0.73 TSHR (0.47) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL9555437 0.73 TSHR (0.36) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL1357269 0.72 TSHR (0.41) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL22610213 0.72 TSHR (0.41) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4383543 0.72 TSHR (0.34) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL1662030 0.70 TSHR (0.36) ALDH1A1TP53TSHRHIF1AHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed