SCHEMBL18868151

SCHEMBL18868151

C=CCN(CC=C)C(=O)C1CCC(CCl)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL17367607 0.87 ALDH1A1 (0.46) ALDH1A1KMT2ATHRATHRBMEN1
SCHEMBL12512761 0.75 ALDH1A1 (0.37) ALDH1A1KMT2ATHRATHRBMEN1
SCHEMBL13893220 0.74 ALDH1A1 (0.46) ALDH1A1KMT2APOLB
SCHEMBL11327803 0.74 ALDH1A1 (0.36) ALDH1A1KMT2ATHRATHRBMEN1
SCHEMBL18231941 0.71 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL13795191 0.70 PPARA (0.35) ALDH1A1KMT2AMEN1
SCHEMBL12512048 0.70 PPARA (0.35) ALDH1A1KMT2AMEN1
SCHEMBL12511975 0.70 SLC6A2 (0.37) ALDH1A1KMT2ATHRATHRB
SCHEMBL23420983 0.68 PLG (0.60) ALDH1A1KMT2AMEN1
SCHEMBL23420981 0.68 PLG (0.60) ALDH1A1KMT2AMEN1

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
US-20170137625-A1 ANTHRAQUINONE COMPOUND USED FOR COLOR FILTER OF LCD DOW GLOBAL TECHNOLOGIES LLC (US) 2017-05-18 US disclosed
US-20170137625-A1 ANTHRAQUINONE COMPOUND USED FOR COLOR FILTER OF LCD DOW GLOBAL TECHNOLOGIES LLC (US) 2017-05-18 US disclosed