SCHEMBL678086

SCHEMBL678086

[CH2]COCCOCCOCC(CC)(COCCOCCOC[CH2])COCCOCCOCCOC(=O)C=C

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.85
TSHR P16473 8/20 0.58
ALDH1A1 P00352 5/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.45
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL678998 1.00 THRB (0.85) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2742409 0.94 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17936725 0.94 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20831280 0.94 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17878009 0.94 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL268280 0.92 THRB (1.00) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29776450 0.89 THRB (0.93) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21898023 0.89 THRB (0.93) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10098423 0.88 THRB (0.85) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20093620 0.88 THRB (0.90) THRBTSHRALDH1A1TP53HIF1A

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
US-20110288231-A1 RAW-MATERIAL COMPOSITIONS FOR RESIN FOR OPTICAL PART, RESIN FOR OPTICAL PART, AND OPTICAL PART IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 US disclosed