SCHEMBL6010062

SCHEMBL6010062

CCCCC(CC)COC(=O)c1ccc(C)c(C)c1C(=O)OCC(CC)CCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP3A4 P08684 5/20 0.65
CA2 P00918 2/20 0.65
TSHR P16473 7/20 0.62
MAPK1 P28482 5/20 0.62
LMNA P02545 4/20 0.60
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 3/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1444868 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL6008816 0.85 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL3764072 0.84 PRSS1 (0.77) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL6578122 0.84 ALDH1A1 (0.81) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL28888722 0.82 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL6010030 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL2467994 0.81 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL812195 0.81 ALDH1A1 (0.83) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL29649126 0.80 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL8679751 0.80 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2TSHRMAPK1

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-20060234031-A1 Porous film, and production method and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2006-10-19 US disclosed