SCHEMBL8637643

SCHEMBL8637643

CC(C)c1ccc(Oc2ccc(OCC=C(Br)Br)c(C(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.40
RORC P51449 3/20 0.40
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PPARG P37231 2/20 0.34
THRA P10827 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
FFAR1 O14842 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MCL1 Q07820 1/20 0.32

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 0.90 LTA4H (0.40) THRBRORCHPGDMCL1
SCHEMBL8634769 0.90 LTA4H (0.42) THRBRORCMAPTPTPN1ACACB
SCHEMBL8632604 0.89 ACACB (0.37) THRBRORCTHRAACACBACACA
SCHEMBL8634095 0.85 THRB (0.40) THRBRORCPPARGFFAR1
SCHEMBL8634072 0.84 MEN1 (0.46) THRBRORCACACBFFAR1P2RX3
SCHEMBL8631880 0.82 PTGDR (0.37) THRBRORCHPGDACACBACACA
SCHEMBL8635552 0.82 FFAR4 (0.40) THRBRORCTHRAACACBACACA
SCHEMBL8635872 0.82 THRB (0.41) THRBRORCMAPTTHRAACACB
SCHEMBL8631883 0.80 PTGDR (0.34) THRBRORCACACBACACAP2RX3
SCHEMBL8636446 0.80 LTA4H (0.40) MAPTACACBACACA

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