SCHEMBL28489593

SCHEMBL28489593

CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.42
▸ MMP9 P14780 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL27891964 1.00 SIGMAR1 (0.42) SIGMAR1MMP9TSHRAOC3HTR2A
SCHEMBL27689418 0.85 SIGMAR1 (0.44) SIGMAR1MMP9
SCHEMBL11456446 0.84 EGFR (0.39) SIGMAR1TSHRAOC3HTR2AHRH1
SCHEMBL6057465 0.84 TSHR (0.42) TSHRAOC3HTR2AHRH1MEN1
SCHEMBL21523210 0.83 SIGMAR1 (0.42) SIGMAR1MMP9HTR2AHRH1
SCHEMBL15423270 0.82 SIGMAR1 (0.45) SIGMAR1AOC3
SCHEMBL27911642 0.81 TDP1 (0.47) TSHRALDH1A1CNR2
SCHEMBL13223809 0.81 SIGMAR1 (0.42) SIGMAR1AOC3HTR2AHRH1ALDH1A1
SCHEMBL19629764 0.79 SIGMAR1 (0.41) SIGMAR1TSHRALDH1A1NPC1JAK2
SCHEMBL7286593 0.78 NPC1 (0.43) SIGMAR1TSHRAOC3ALDH1A1NPC1

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-112020491-A Non-coordinating anionic activators containing cations with branched alkyl groups 埃克森美孚化学专利公司 2020-12-01 — — CN disclosed
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