SCHEMBL22281700

SCHEMBL22281700

C=C(C)OC(=O)NCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ LGALS1 P09382 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PAOX Q6QHF9 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL22282242 0.85 DNM1 (0.40) DNM1CA1CA2CA12CA9
SCHEMBL22281707 0.78 TDP1 (0.42) SMN1; SMN2HSD17B10TDP1ALDH1A1USP2
SCHEMBL12363095 0.78 HSD17B10 (0.42) HSD17B10TDP1ALDH1A1PAOX
SCHEMBL10243682 0.77 EPHX1 (0.48) DNM1CA1CA2CA12CA9
SCHEMBL12012184 0.76 HSD17B10 (0.41) HSD17B10TDP1ALDH1A1CYP1A2PAOX
SCHEMBL12093782 0.74 ACHE (0.57) —
SCHEMBL13484350 0.74 ECE1 (0.39) HTTHSD17B10TDP1NPSR1PRMT1
SCHEMBL21499 0.74 DNM1 (0.43) DNM1CA1CA2CA12CA9
SCHEMBL16682368 0.73 TDP1 (0.38) HSD17B10TDP1ALDH1A1
SCHEMBL12295177 0.73 TDP1 (0.38) HSD17B10TDP1

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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