SCHEMBL5331885

SCHEMBL5331885

CC(C)c1ccc[n+](Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ACHE P22303 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ CHKA P35790 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL18810751 0.86 LMNA (0.53) LMNAL3MBTL1NPSR1ACHEALDH1A1
SCHEMBL5297929 0.81 CHKA (0.42) LMNAL3MBTL1NPSR1ACHEALDH1A1
SCHEMBL5332813 0.80 CHRNA7 (0.47) ACHECYP2D6BCHE
SCHEMBL5331811 0.79 CHKA (0.56) LMNAACHEALDH1A1CHKAHTT
Hydrochloric Acid SCHEMBL7441129 0.78 ALDH1A1 (0.56) LMNAALDH1A1CHKAHTTSMN1; SMN2
Bromide SCHEMBL15140537 0.78 CHKA (0.58) LMNAACHEALDH1A1CHKAHTT
Iodide SCHEMBL7437383 0.78 CHKA (0.55) LMNAACHEALDH1A1CHKAHTT
SCHEMBL5286663 0.77 APOBEC3A (0.36) LMNAHTTKDM4E
SCHEMBL12014107 0.76 ACHE (0.53) LMNAACHEALDH1A1CHKAHTT
SCHEMBL5293777 0.76 LMNA (0.61) LMNAL3MBTL1NPSR1ACHEALDH1A1

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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