SCHEMBL11855432

SCHEMBL11855432

CC(C)=CCCC(C)=CCCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
UGT1A1 P22309 1/20 0.47
SQLE Q14534 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11855421 1.00 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL4769318 0.89 TAAR1 (0.45) TRPV1
SCHEMBL3092254 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3084553 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3084555 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3103575 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3103585 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3092262 0.85 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23864993 0.83 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11849974 0.83 TRPV1 (0.58) KMT2AMAPTMEN1CYP3A4ALOX15

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-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed