SCHEMBL8635932

SCHEMBL8635932

COCc1cc(Oc2ccc(OC(C)C)cc2)ccc1OCC=C(Br)Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
ERN1 O75460 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGDR Q13258 1/20 0.30
IDO1 P14902 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A3 P47895 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8632346 0.86 PPARG (0.40)
SCHEMBL8635761 0.85 L3MBTL1 (0.37) ACACBACACAMEN1ALDH1A1MAPT
SCHEMBL8636445 0.83 ACACB (0.38) ACACBACACAERN1GAAALDH1A1
SCHEMBL8632604 0.82 ACACB (0.37) ACACBACACAGAAKMT2ACYP1A2
SCHEMBL8634461 0.81 ACACB (0.36) ACACBACACAMEN1ALDH1A1MAPT
SCHEMBL8632068 0.80 ACACB (0.36) ACACBACACAGAAKMT2ACYP1A2
SCHEMBL8636424 0.79 ACACB (0.35) ACACBACACAGAAALDH1A1KMT2A
SCHEMBL8631843 0.79 FFAR4 (0.39) ACACBACACA
SCHEMBL8634720 0.79 ACACB (0.35) ACACBACACAGAAALDH1A1KMT2A
SCHEMBL8635952 0.79 ACACB (0.33) ACACBACACAERN1GAAALDH1A1

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