SCHEMBL26677809

SCHEMBL26677809

CC(C)N1C[N+](C(=O)[O-])(C(C)C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ DPP7 Q9UHL4 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV4 Q9HBA0 3/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ SLC6A9 P48067 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
Bicarbonate SCHEMBL26677805 0.71 NOTUM (0.43) SMN1; SMN2NOTUMALDH1A1HSD17B3GAA
SCHEMBL30686749 0.68 ALDH1A1 (0.39) SMN1; SMN2NOTUMALDH1A1HSD17B3GAA
SCHEMBL26689195 0.68 ALDH1A1 (0.39) SMN1; SMN2NOTUMALDH1A1HSD17B3GAA
Iodide SCHEMBL26677808 0.67 ALDH1A1 (0.38) SMN1; SMN2NOTUMALDH1A1HSD17B3GAA
SCHEMBL15893966 0.62 CNR2 (0.47) NOTUMALDH1A1HSD17B3DPP7CNR2
SCHEMBL12356967 0.60 CNR2 (0.42) NOTUMALDH1A1GAADPP7CNR2
SCHEMBL22843391 0.57 NOTUM (0.50) SMN1; SMN2NOTUMALDH1A1GAAMEN1
SCHEMBL12780275 0.55 PDE2A (0.47) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL23040077 0.55 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1GAAALOX12NPSR1
SCHEMBL5543649 0.54 ALDH1A1 (0.35) ALDH1A1HSD17B3MEN1KMT2ANPSR1

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-20230381812-A1 Method of Selective Deposition of Small Molecules on Metal Surfaces UNIVERSITE LAVAL (CA) 2023-11-30 — — US disclosed
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