SCHEMBL5285386

SCHEMBL5285386

CCCCCCCCCCCCCCCCC[N+]1(CCCCCCCCCCCCCCCC)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.42
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DNM1 Q05193 5/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC22A1 O15245 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
SCHEMBL5289896 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5299076 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL899276 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5292827 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5294672 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL899023 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5291307 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5289929 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5300886 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL898650 1.00 TSHR (0.42) TSHRTHRBGNAI3GNAO1GNAI1

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