SCHEMBL8405772

SCHEMBL8405772

OCCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
PLAU P00749 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8409038 0.95 PLAU (0.33) PDK2PLAUKDM4EMAPK1SMN1; SMN2
SCHEMBL8561642 0.91 PDK2 (0.34) PDK2
SCHEMBL8409895 0.91 KDM4E (0.41) PDK2KDM4ETP53MAPK1SMN1; SMN2
SCHEMBL8408646 0.90 PLAU (0.33) PLAUKDM4EMAPK1THRB
SCHEMBL8408474 0.88 L3MBTL1 (0.34) PDK2KDM4ETHRB
SCHEMBL8408467 0.88 PLAU (0.35) PLAUKDM4ETHRB
SCHEMBL8407424 0.88 PLAU (0.33) PLAUKDM4EMAPK1
SCHEMBL8409045 0.87 KDM4E (0.39) KDM4ETHRBSMN1; SMN2
SCHEMBL8405821 0.87 THRB (0.33) PDK2THRB
SCHEMBL7981958 0.87 PLAU (0.40) PLAUKDM4ETHRB

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