SCHEMBL5278372

SCHEMBL5278372

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.38
SLC9A1 P19634 1/20 0.35
HSD17B10 Q99714 1/20 0.33
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
RECQL P46063 1/20 0.30
TOP2A P11388 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
SCHEMBL5288686 0.90 SLC9A1 (0.38) GRIA4SLC9A1HCAR3GRM2TOP2A
SCHEMBL5273628 0.87 SLC9A1 (0.41) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5285637 0.85 SLC9A1 (0.37) GRIA4SLC9A1HSD17B10HCAR3ALDH1A1
SCHEMBL5273610 0.85 GRIA1 (0.35) GRIA4SLC9A1
SCHEMBL5278453 0.84 SLC9A1 (0.36) GRIA4SLC9A1HSD17B10HCAR3ALDH1A1
SCHEMBL5275908 0.81 SLC9A1 (0.34) GRIA4SLC9A1HSD17B10HCAR3ALDH1A1
SCHEMBL5274139 0.80 SLC9A1 (0.36) GRIA4SLC9A1HSD17B10ALDH1A1GRM2
SCHEMBL5280843 0.80 SLC9A1 (0.36) GRIA4SLC9A1HSD17B10ALDH1A1GRM2
SCHEMBL5283272 0.80 GRIA4 (0.42) GRIA4SLC9A1HSD17B10ALDH1A1GRM2
SCHEMBL5282635 0.79 SLC9A1 (0.33) GRIA4SLC9A1HSD17B10HCAR3ALDH1A1

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