SCHEMBL11733396

SCHEMBL11733396

CCCCC(C)=CCCC(C)=CCBr

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.47
KMT2A Q03164 3/20 0.46
LSS P48449 1/20 0.43
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
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL11733389 1.00 SQLE (0.47) SQLEKMT2ALSSMAPTMEN1
SCHEMBL5656297 0.91
SCHEMBL5656303 0.91
SCHEMBL2456513 0.87 KMT2A (0.50) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL2456517 0.87 KMT2A (0.50) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL11866788 0.85 CES2 (0.39) SQLEKMT2ALSSMEN1ALOX15
SCHEMBL11866782 0.85 CES2 (0.39) SQLEKMT2ALSSMEN1ALOX15
SCHEMBL6708593 0.83 FAAH (0.41) KMT2ALSSMEN1ALOX15ALDH1A1
SCHEMBL6708601 0.83 FAAH (0.41) KMT2ALSSMEN1ALOX15ALDH1A1
SCHEMBL11549688 0.83 KMT2A (0.50) SQLEKMT2AMAPTMEN1CYP3A4

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-4011335-A INSECTICIDES, HORMONE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 US disclosed