SCHEMBL11545443

SCHEMBL11545443

CCC(=CCCC(C)=CCBr)CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SQLE Q14534 7/20 0.42
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
UGT1A1 P22309 1/20 0.39
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11545440 1.00 KMT2A (0.43) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL11547121 0.85 KMT2A (0.46) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL11547124 0.85 KMT2A (0.46) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL11549692 0.84 KMT2A (0.50) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL11549688 0.84 KMT2A (0.50) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL11547685 0.82 SQLE (0.32) SQLEFNTAFNTB
SCHEMBL11547687 0.82 SQLE (0.32) SQLEFNTAFNTB
SCHEMBL11552338 0.80 KMT2A (0.64) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL2456517 0.80 KMT2A (0.50) KMT2ASQLEMEN1CYP3A4ALOX15
SCHEMBL2456513 0.80 KMT2A (0.50) KMT2ASQLEMEN1CYP3A4ALOX15

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
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed
US-4002647-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1977-01-11 US disclosed
US-3957763-A PHENYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1976-05-18 US disclosed