SCHEMBL5489811

SCHEMBL5489811

C=CC(=O)OCCCC(=O)OC(=O)CCCOC(=O)C=C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
ALDH1A1 P00352 6/20 0.65
CYP3A4 P08684 2/20 0.65
HPGD P15428 1/20 0.59
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 3/20 0.33
LMNA P02545 1/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32

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
SCHEMBL5490060 0.94 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5487925 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5489820 0.91 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30097983 0.89 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16405349 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5488001 0.87 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5490063 0.86 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16393974 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5487927 0.84 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDATM
SCHEMBL5935034 0.84 TSHR (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072124-A1 Optical recording composition, production method thereof and optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed