SCHEMBL8633857

SCHEMBL8633857

CC(C)Oc1ccc(Oc2ccc(OCC=C(Br)Br)c3c2CCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PTGDR Q13258 1/20 0.33
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TP53 P04637 2/20 0.33
ADRB3 P13945 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8634567 0.88 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8633770 0.80 PPARD (0.37) ACACBACACAPTGDR
SCHEMBL8633666 0.78 MPO (0.36) CYP1A2CYP2D6POLBGAACYP2C19
SCHEMBL8636445 0.78 ACACB (0.38) CYP1A2CYP2D6POLBGAACYP2C19
SCHEMBL8632604 0.77 ACACB (0.37) CYP1A2CYP2D6POLBGAACYP2C19
SCHEMBL8636424 0.76 ACACB (0.35) CYP1A2CYP2D6POLBGAACYP2C19
SCHEMBL8634719 0.76 PTGDR (0.34) ACACBACACAPTGDRTSHR
SCHEMBL8634953 0.76 PPARG (0.37) POLBGAAACACBACACAPTGDR
SCHEMBL8634461 0.76 ACACB (0.36) CYP2D6POLBACACBACACAPTGDR
SCHEMBL8631886 0.76 ACACB (0.36) CYP1A2CYP2D6POLBGAACYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed