SCHEMBL4369137

SCHEMBL4369137

C=CC(=O)OCC(N(CC)CC)N(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.57
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL8070296 0.83 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL184856 0.83 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28454119 0.80 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20359743 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10306277 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL6401315 0.76 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11244296 0.76 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6046946 0.75
SCHEMBL74390 0.74 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28921629 0.74 MAPT (0.40) TSHRALDH1A1CYP3A4

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-7396891-B2 Two-component coating composition and method of preparation ROHM AND HAAS COMPANY (US) 2008-07-08 US claimed
EP-2069569-A2 FLAME RETARDED TEXTILE PRODUCTS AND A METHOD OF MAKING THE SAME Albermarle Corporation (US) 2009-06-17 EP disclosed
WO-2008030792-A2 FLAME RETARDED TEXTILE PRODUCTS AND A METHOD OF MAKING THE SAME ALBEMARLE CORPORATION (US) 2008-03-13 WO disclosed