SCHEMBL27996517

SCHEMBL27996517

CCCCCCCCN(CCCCCCCC)n1nnc2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.43
▸ GRM2 Q14416 3/20 0.39
▸ SLC9A1 P19634 4/20 0.38
▸ CYP4Z1 Q86W10 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP19A1 P11511 3/20 0.32
▸ ASAH1 Q13510 1/20 0.32

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
SCHEMBL11361330 0.88 GRM2 (0.38) TLR8GRM2SLC9A1
SCHEMBL9082030 0.83 SLC9A1 (0.32) GRM2SLC9A1CYP4Z1ALDH1A1
SCHEMBL27754515 0.82 GRM2 (0.38) TLR8GRM2SLC9A1ALDH1A1
SCHEMBL6241554 0.78 GRM2 (0.46) TLR8GRM2SLC9A1CYP4Z1
SCHEMBL17728249 0.78 GRM2 (0.46) TLR8GRM2SLC9A1CYP4Z1
SCHEMBL30627901 0.78 GRM2 (0.46) TLR8GRM2SLC9A1CYP4Z1
SCHEMBL19911473 0.77 GRM2 (0.51) TLR8GRM2SLC9A1ALDH1A1
SCHEMBL11243680 0.77 SLC9A1 (0.56) TLR8GRM2SLC9A1CYP4Z1ALDH1A1
SCHEMBL4593962 0.73 TLR8 (0.36) TLR8SLC9A1CYP4Z1ALDH1A1TP53
SCHEMBL20942800 0.73 GRM2 (0.41) TLR8GRM2SLC9A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922700-A Vinyl chloride resin plasticizer, vinyl chloride resin composition, harness and instrument board DIC株式会社 2018-04-17 — — CN disclosed
CN-107614492-A 7-oxa-bicyclo[4.1.0 dicarboxylic diester, plasticiser, stabilizer and resin combination 新日本理化株式会社 2018-01-19 — — CN disclosed
CN-106661493-A Lubricant composition, use thereof and aliphatic ether compound 株式会社MORESCO 2017-05-10 — — CN disclosed
CN-105296087-A Gasoline engine oil composition SHAO HONGLIANG 2016-02-03 — — CN disclosed
CN-102939365-B For the lubricating oil composition of diesel engine SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2015-11-25 — — CN disclosed
CN-104619818-A Lubricating oil composition for internal combustion engines SHELL INT RESEARCH 2015-05-13 — — CN disclosed
CN-104603250-A Lubricating oil composition for internal combustion engine SHELL INT RESEARCH 2015-05-06 — — CN disclosed
CN-104334696-A Lubricating oil composition SHELL INT RESEARCH 2015-02-04 — — CN disclosed
Send feedback