SCHEMBL5293341

SCHEMBL5293341

CCCCc1ccc[n+](Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ GGPS1 O95749 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ CHKA P35790 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL5817543 0.95 GGPS1 (0.53) LMNAGGPS1NPSR1L3MBTL1ALDH1A1
SCHEMBL5303299 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5293132 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5303403 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5290953 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5301104 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5288849 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5298754 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5810821 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1
SCHEMBL5296888 0.93 GGPS1 (0.55) LMNAGGPS1NPSR1L3MBTL1HDAC1

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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