SCHEMBL5327498

SCHEMBL5327498

CCCCCCCCCC(C)c1nccn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.37
ADA P00813 4/20 0.36
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
PDE2A O00408 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL5329922 1.00 TLR8 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5328721 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5327441 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5332385 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5326288 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5334530 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5332515 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5331765 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5325831 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB
SCHEMBL5331249 0.90 ALDH1A1 (0.37) TLR8ADAGPR84ALDH1A1POLB

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed