SCHEMBL5282635

SCHEMBL5282635

CCCn1nnc(CC(C)(C)C)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
GRIA4 P48058 1/20 0.33
HSD17B10 Q99714 1/20 0.31
HCAR3 P49019 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL5279139 0.90 SLC9A1 (0.36) SLC9A1HCAR3GRM2
SCHEMBL5282623 0.88 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5285507 0.86 NPC1 (0.33) SLC9A1GRIA4
SCHEMBL5285637 0.82 SLC9A1 (0.37) SLC9A1GRIA4HSD17B10HCAR3ALDH1A1
SCHEMBL5278453 0.81 SLC9A1 (0.36) SLC9A1GRIA4HSD17B10HCAR3ALDH1A1
SCHEMBL5278372 0.79 GRIA4 (0.38) SLC9A1GRIA4HSD17B10HCAR3ALDH1A1
SCHEMBL5284998 0.79
SCHEMBL5275908 0.78 SLC9A1 (0.34) SLC9A1GRIA4HSD17B10HCAR3ALDH1A1
SCHEMBL5281543 0.78 GRIA4 (0.38) SLC9A1GRIA4
SCHEMBL5276650 0.77 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed