SCHEMBL5807549

SCHEMBL5807549

CCCCCCCCCCCCCCCCCCn1ccnc1CCO

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.54
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
TBXAS1 P24557 1/20 0.38
KCNH2 Q12809 5/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17599652 0.93 ALDH1A1 (0.56) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL11569500 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL4365560 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL5283349 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL11533777 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL5286463 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL5282914 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL902477 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL5303316 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL9186379 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006098909-A1 METHODS FOR PREPARING POLYESTER-BASED NANOCOMPOSITES CYCLICS CORPORATION (US) 2006-09-21 WO disclosed
US-5576273-A EXTREME PRESSURE, ALKYLENEBISDITHIOCARBAMATE, SYNERGISTIC R.T. VANDERBILT COMPANY, INC. (US) 1996-11-19 US disclosed