SCHEMBL4593962

SCHEMBL4593962

CCCCCCCCN(CCCCCCCC)n1nnc(-c2ccccc2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ DCTPP1 Q9H773 2/20 0.34
▸ CYP19A1 P11511 3/20 0.33
▸ SLC9A1 P19634 2/20 0.33
▸ ICMT O60725 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP4Z1 Q86W10 4/20 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
SCHEMBL27505488 0.83 JAK2 (0.39) ALDH1A1TP53DCTPP1JAK2JAK1
SCHEMBL3501385 0.79 ALDH1A1 (0.34) TLR8ALDH1A1DCTPP1JAK2JAK1
SCHEMBL27636177 0.75 DCTPP1 (0.41) ALDH1A1TP53DCTPP1JAK2JAK1
SCHEMBL27996517 0.73 TLR8 (0.43) TLR8ALDH1A1TP53CYP19A1SLC9A1
SCHEMBL9082030 0.68 SLC9A1 (0.32) ALDH1A1SLC9A1CYP4Z1
SCHEMBL27636059 0.68 SLC9A1 (0.47) TLR8ALDH1A1SLC9A1IDO1TDO2
SCHEMBL27657025 0.68 SLC9A1 (0.47) TLR8ALDH1A1SLC9A1IDO1TDO2
SCHEMBL27636024 0.68 SLC9A1 (0.47) TLR8ALDH1A1SLC9A1IDO1TDO2
SCHEMBL27658616 0.67 CYP4Z1 (0.41) TLR8ALDH1A1TP53DCTPP1JAK2
SCHEMBL8510714 0.67 KCNH2 (0.36) TLR8ALDH1A1TP53ICMTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896556-B1 OXIDATIVE STABLE OIL FORMULATION SHELL INT RESEARCH (NL) 2018-09-26 — — EP disclosed
EP-1896556-A1 OXIDATIVE STABLE OIL FORMULATION Shell Internationale Research Maatschappij B.V. (NL) 2008-03-12 — — EP disclosed
WO-2006136591-A1 OXIDATIVE STABLE OIL FORMULATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-12-28 — — WO disclosed
EP-0618284-A1 Copper-corrosion inhibitors in or for distillate fuels EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-10-05 — — EP disclosed
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