SCHEMBL5488006

SCHEMBL5488006

C=CC(=O)OCCC(=O)OC(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 6/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 3/20 0.46
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
DGKA P23743 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
SCHEMBL5488001 0.92 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9572430 0.86 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9803819 0.85 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9580927 0.83 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5829420 0.82 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3801815 0.82 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22129793 0.82 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11682363 0.82 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20144563 0.81 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5489820 0.80 TSHR (0.65) 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-0087304-A1 Non-aqueous compositions, method of making them, use thereof as or in adhesives, and article adhered therewith ROHM AND HAAS COMPANY (US) 1983-08-31 EP claimed
US-20070072124-A1 Optical recording composition, production method thereof and optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed