SCHEMBL8632604

SCHEMBL8632604

CC(C)Oc1ccc(Oc2ccc(OCC=C(Br)Br)c(C(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.37
ACACA Q13085 4/20 0.37
THRB P10828 3/20 0.37
RORC P51449 1/20 0.37
THRA P10827 2/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PTGDR Q13258 1/20 0.32
GCK P35557 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8631880 0.93 PTGDR (0.37) ACACBACACATHRBRORCCYP1A2
SCHEMBL8631883 0.91 PTGDR (0.34) ACACBACACATHRBRORCP2RX3
SCHEMBL8632068 0.90 ACACB (0.36) ACACBACACACYP1A2GAACYP2D6
SCHEMBL8636424 0.89 ACACB (0.35) ACACBACACACYP1A2GAACYP2D6
SCHEMBL8635020 0.89 LTA4H (0.40) THRBRORCCYP1A2CYP2C19KMT2A
SCHEMBL8634769 0.89 LTA4H (0.42) ACACBACACATHRBRORCGAA
SCHEMBL8637643 0.89 THRB (0.40) ACACBACACATHRBRORCTHRA
SCHEMBL8635966 0.88 THRB (0.39) ACACBACACATHRBRORCP2RX3
SCHEMBL8634461 0.86 ACACB (0.36) ACACBACACACYP2D6POLBPTGDR
SCHEMBL8636445 0.86 ACACB (0.38) ACACBACACACYP1A2GAACYP2D6

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