SCHEMBL8634720

SCHEMBL8634720

C#Cc1cc(Oc2ccc(OC(C)C)cc2)ccc1OCC=C(Br)Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.35
ACACA Q13085 5/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGDR Q13258 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL8636445 0.83 ACACB (0.38) ACACBACACAALDH1A1KMT2ACYP1A2
SCHEMBL8632604 0.82 ACACB (0.37) ACACBACACAKMT2ACYP1A2GAA
SCHEMBL8634461 0.81 ACACB (0.36) ACACBACACAKDM4EALDH1A1KMT2A
SCHEMBL8632068 0.80 ACACB (0.36) ACACBACACAKMT2ACYP1A2GAA
SCHEMBL8635932 0.79 ACACB (0.35) ACACBACACAKDM4EALDH1A1KMT2A
SCHEMBL8631843 0.79 FFAR4 (0.39) ACACBACACA
SCHEMBL8636424 0.79 ACACB (0.35) ACACBACACAKDM4EALDH1A1KMT2A
SCHEMBL8632346 0.79 PPARG (0.40)
SCHEMBL8635761 0.78 L3MBTL1 (0.37) ACACBACACAKDM4EALDH1A1KMT2A
SCHEMBL8636803 0.78 PTGDR2 (0.38) ACACBACACAPTGDR

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