SCHEMBL4408776

SCHEMBL4408776

CC(C)c1nnnn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 2/20 0.60
HRH3 Q9Y5N1 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
HRH4 Q9H3N8 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
SLC1A3 P43003 4/20 0.52
SLC1A2 P43004 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.52
ALOX15 P16050 1/20 0.50
P2RX7 Q99572 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10969069 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL18387989 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL31272309 0.80 TSHR (0.43) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL12141920 0.80 SLC1A3 (0.55) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL4518149 0.79 MAPK1 (0.56) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL4405905 0.77 ALDH1A1 (0.57) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL3035928 0.77 LMNA (0.62) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL12141924 0.75 NPSR1 (0.53) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL7314086 0.75 PAX8 (0.48) ALDH1A1TSHRHRH3LMNAMAPK1
SCHEMBL7314092 0.75 PAX8 (0.48) ALDH1A1TSHRHRH3LMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed