SCHEMBL5330262

SCHEMBL5330262

CCCn1cc[n+](C)c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.35
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3177105 0.88 KMT2A (0.39) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5288352 0.88 HDAC8 (0.35) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
Bromide SCHEMBL1533998 0.86 KMT2A (0.40) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5296923 0.86 NPC1 (0.43) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5322247 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5298484 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5307267 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5285261 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5290433 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5289050 0.85 NPC1 (0.46) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E

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