SCHEMBL11547124

SCHEMBL11547124

CCC(=CCCC(C)=CCCBr)CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SQLE Q14534 7/20 0.46
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.42
UGT1A1 P22309 1/20 0.42
KDM4E B2RXH2 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL11547121 1.00 KMT2A (0.46) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11549382 0.87 KMT2A (0.50) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11549385 0.87 KMT2A (0.50) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11545443 0.85 KMT2A (0.43) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11545440 0.85 KMT2A (0.43) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11702142 0.83 KMT2A (0.50) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11702149 0.83 KMT2A (0.50) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11552375 0.81 SQLE (0.52) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11552377 0.81 SQLE (0.52) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11549107 0.80 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed