SCHEMBL5305543

SCHEMBL5305543

CCCc1cc[n+](CC)cc1CCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TERT O14746 1/20 0.30

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
SCHEMBL5288372 0.88 MAPT (0.39) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5308546 0.86 MAPT (0.42) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5303824 0.85 HTT (0.37) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5287144 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5300377 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5303201 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5288397 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5300721 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5306355 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5294270 0.84 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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