SCHEMBL4431013

SCHEMBL4431013

CC(C)OC(=O)C[Al](CC(=O)OC(C)C)CC(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AGTR1 P30556 1/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA7 P43166 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL3897256 0.76 — —
SCHEMBL72471 0.75 LMNA (0.62) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL229792 0.75 TSHR (0.50) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL28875912 0.72 LMNA (0.48) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL31019825 0.72 LMNA (0.54) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL22557 0.72 — —
SCHEMBL31402602 0.72 LMNA (0.60) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL18152012 0.72 LMNA (0.48) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL28727541 0.72 LMNA (0.48) LMNATSHRCYP2D6MAPTALDH1A1
SCHEMBL128684 0.72 — —

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-8277555-B2 Coating composition DYFLEX CORPORATION (JP) 2012-10-02 — — US disclosed
US-20090293768-A1 Coating Composition KOWA CHEMICAL INDUSTRIES CO., LTD. (JP) 2009-12-03 — — US disclosed
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