SCHEMBL4405905

SCHEMBL4405905

CC(C)Cc1nnnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.54
CNR2 P34972 1/20 0.50
TSHR P16473 2/20 0.48
P2RX7 Q99572 2/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL156417 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL3096693 0.81 HDAC1 (0.52) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL5592781 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL4406847 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNACNR2
SCHEMBL4407828 0.79 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL4407027 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL96819 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL96820 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL1414345 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNATSHR
Ammonia Solution, Strong SCHEMBL14874912 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNACNR2

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
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed