SCHEMBL5328558

SCHEMBL5328558

CCC[n+]1cccc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 2/20 0.34
HSP90AA1 P07900 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 1/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
XBP1 P17861 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL5304636 0.89 HTT (0.47) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5328409 0.87 HTT (0.54) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5325925 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5415294 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5327048 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5334734 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5292514 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5330063 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5282830 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL5324627 0.86 HTT (0.57) HTTLMNAHSP90AA1SMN1; SMN2RAD52

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