SCHEMBL5308493

SCHEMBL5308493

CCC[n+]1ccc(CC)c(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ APAF1 O14727 1/20 0.33

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
SCHEMBL5294865 0.88 MEN1 (0.48) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5300537 0.86 MEN1 (0.57) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5290660 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5298873 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5289539 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5291500 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5326558 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5307023 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5300492 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL5297982 0.84 MEN1 (0.60) HTTMEN1KMT2ATP53CYP1A2

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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