SCHEMBL29138650

SCHEMBL29138650

CCCCCCCCCCCCCCCCCCCc1nccn1CCO

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
KCNH2 Q12809 2/20 0.40
TLR7 Q9NYK1 3/20 0.38
ALPG P10696 1/20 0.36
PLAA Q9Y263 1/20 0.36

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
SCHEMBL9979698 1.00 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL218249 1.00 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL18339282 1.00 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL9408468 1.00 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL216892 1.00 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ACA1
Hydrochloric Acid SCHEMBL28508791 0.98 TLR8 (0.47) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL31037672 0.94 AGTR1 (0.42) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL31590567 0.93 ALDH1A1 (0.47) TLR8ALDH1A1POLBKMT2ACA1
SCHEMBL5282914 0.88 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL2149023 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117174859-A Low-cost high-capacity coal-based hard carbon composite material and preparation method and application thereof 常州烯源谷新材料科技有限公司 2023-12-05 CN disclosed