SCHEMBL8635952

SCHEMBL8635952

CO/N=C/c1cc(Oc2ccc(OC(C)C)cc2)ccc1OCC=C(Br)Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
ERN1 O75460 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
CCR5 P51681 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8635954 1.00 ACACB (0.33) ACACBACACAGAAALDH1A1HPGD
SCHEMBL8636445 0.80 ACACB (0.38) ACACBACACAGAAALDH1A1HPGD
SCHEMBL8632068 0.80 ACACB (0.36) ACACBACACAGAAPOLBKMT2A
SCHEMBL8632604 0.79 ACACB (0.37) ACACBACACAGAAPOLBKMT2A
SCHEMBL8635932 0.79 ACACB (0.35) ACACBACACAGAAALDH1A1ERN1
SCHEMBL8634461 0.78 ACACB (0.36) ACACBACACAALDH1A1HPGDSMN1; SMN2
SCHEMBL8631843 0.76 FFAR4 (0.39) ACACBACACA
SCHEMBL8632346 0.76 PPARG (0.40)
SCHEMBL8636424 0.76 ACACB (0.35) ACACBACACAGAAALDH1A1POLB
SCHEMBL8634720 0.76 ACACB (0.35) ACACBACACAGAAALDH1A1POLB

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