SCHEMBL22281707

SCHEMBL22281707

C=C(C)OC(=O)NCCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACHE P22303 11/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ MMP13 P45452 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
SCHEMBL12363095 0.83 HSD17B10 (0.42) TDP1HSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL12012184 0.81 HSD17B10 (0.41) TDP1HSD17B10ACHEALDH1A1MEN1
SCHEMBL13484350 0.79 ECE1 (0.39) TDP1HSD17B10
SCHEMBL12093782 0.79 ACHE (0.57) ACHEGAAEPHX1
SCHEMBL16682368 0.78 TDP1 (0.38) TDP1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12295177 0.78 TDP1 (0.38) TDP1HSD17B10
SCHEMBL22281700 0.78 DNM1 (0.40) TDP1HSD17B10SMN1; SMN2ALDH1A1USP2
SCHEMBL824789 0.77 — —
SCHEMBL3696695 0.74 EGLN1 (0.43) TDP1HSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL499171 0.74 — —

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
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 — — WO disclosed
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