SCHEMBL5326558

SCHEMBL5326558

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ABCB11 O95342 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52

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
SCHEMBL5290536 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5307023 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5297352 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5300492 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5298873 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5289539 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5290660 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5297982 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5291500 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL5304700 1.00 MEN1 (0.60) MEN1KMT2ATP53CYP1A2CYP2D6

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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