SCHEMBL8635552

SCHEMBL8635552

CC(C)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1OCC=C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.40
FFAR1 O14842 4/20 0.40
THRB P10828 3/20 0.37
THRA P10827 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GGPS1 O95749 1/20 0.34
RORC P51449 2/20 0.34
PPARD Q03181 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL8635020 0.92 LTA4H (0.40) THRBMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL8636192 0.89 FFAR4 (0.40) FFAR4FFAR1THRBTHRARXRA
SCHEMBL8634072 0.86 MEN1 (0.46) FFAR4FFAR1THRBACACBMEN1
SCHEMBL8634095 0.85 THRB (0.40) FFAR1THRBRORCPPARDPTGER4
SCHEMBL8634769 0.82 LTA4H (0.42) THRBACACBACACAMEN1KMT2A
SCHEMBL8637643 0.82 THRB (0.40) FFAR1THRBTHRAACACBACACA
SCHEMBL8632604 0.81 ACACB (0.37) THRBTHRAACACBACACACYP1A2
SCHEMBL8635702 0.81 PPARG (0.47) FFAR4FFAR1PPARD
SCHEMBL8635018 0.80 THRB (0.40) THRBTHRAMEN1CYP1A2CYP3A4
SCHEMBL8633555 0.80 FFAR4 (0.40) FFAR4FFAR1THRBTHRARXRA

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