SCHEMBL4388134

SCHEMBL4388134

C=CC(=O)OCCCSC1CC2CC1C(C(=O)O)C2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 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
SCHEMBL4383543 0.83 TSHR (0.34) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL30977791 0.70 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10560734 0.69 GMNN (0.33) TSHRALDH1A1TP53HSD17B10THRB
SCHEMBL10562777 0.69
SCHEMBL12909362 0.68 TSHR (0.32) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23963473 0.67 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10099800 0.66 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22861291 0.66 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4381392 0.66 PPM1B (0.36) ALDH1A1
SCHEMBL17123545 0.65 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53

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 5 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
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO 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
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO disclosed