SCHEMBL8408474

SCHEMBL8408474

CCc1cc(OCC=C(Br)Br)cc(Cl)c1OCCCCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 3/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 1/20 0.33
P4HB P07237 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDK2 Q15119 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
THRA P10827 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL8408801 0.91 L3MBTL1 (0.35) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8408724 0.91 KDM4E (0.32) L3MBTL1THRBKDM4EALDH1A1PDK2
SCHEMBL8408946 0.90 L3MBTL1 (0.34) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8405406 0.90 KDM4E (0.34) L3MBTL1THRBKDM4EALDH1A1
SCHEMBL8408696 0.89 HTT (0.36) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8409005 0.89 KDM4E (0.33) L3MBTL1THRBKDM4EALDH1A1
SCHEMBL8405772 0.88 PDK2 (0.34) THRBKDM4EPDK2
SCHEMBL8408751 0.87 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL8405671 0.86 KDM4E (0.34) THRBKDM4EALDH1A1THRACYP1A2
SCHEMBL8409895 0.85 KDM4E (0.41) L3MBTL1KDM4EALDH1A1PDK2CYP1A2

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-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed