SCHEMBL5282616

SCHEMBL5282616

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
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
SCHEMBL5281135 0.90 SLC9A1 (0.38) SLC9A1GRM2TOP2A
SCHEMBL5277734 0.87 SLC9A1 (0.41) SLC9A1
SCHEMBL5276492 0.86 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5281611 0.86 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5279162 0.85 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5284531 0.85 SLC9A1 (0.32) SLC9A1
SCHEMBL5285979 0.84 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5279616 0.83 SLC9A1 (0.32) SLC9A1
SCHEMBL5274747 0.83 SLC9A1 (0.32) SLC9A1
SCHEMBL5279606 0.82 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A

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