SCHEMBL12264265

SCHEMBL12264265

C=CC(=O)OCC(CC)(CCC)COC(=O)C=C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
THRB P10828 5/20 0.57
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.32
ATM Q13315 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
SCHEMBL17523144 0.92 ALDH1A1 (0.62) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL268415 0.89 TSHR (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14130577 0.88 ALDH1A1 (0.67) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28543752 0.88 THRB (0.70) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL238953 0.88 THRB (0.70) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14665703 0.87 THRB (0.65) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4096763 0.86 TSHR (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL16939129 0.86 THRB (0.63) ALDH1A1TP53HIF1ACYP3A4MAPK1
Propanol SCHEMBL7031961 0.85 ALDH1A1 (0.63) ALDH1A1TP53HIF1ACYP3A4MAPK1
Alcohol SCHEMBL7030010 0.85 ALDH1A1 (0.68) ALDH1A1TP53HIF1ACYP3A4MAPK1

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
US-20110232726-A1 BARRIER LAMINATE, METHOD OF MANUFACTURING THE LAMINATE, GAS BARRIER FILM AND DEVICE FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110232726-A1 BARRIER LAMINATE, METHOD OF MANUFACTURING THE LAMINATE, GAS BARRIER FILM AND DEVICE FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed