SCHEMBL5811778

SCHEMBL5811778

CCCCCC(CCc1ccccc1)[n+]1cc[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.39
▸ CSNK1E P49674 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ EEF2K O00418 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ EEF2 P13639 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL5818768 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5300705 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5290720 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5287873 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5815845 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5303428 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5301180 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5284331 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5292848 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2
SCHEMBL5283847 0.99 CSNK1E (0.39) SIGMAR1CSNK1EKCNH2CNR2CYP1A2

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
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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