SCHEMBL8632744

SCHEMBL8632744

CCC(CC)(Oc1ccc(OC(C)C)cc1)c1ccc(OCC=C(Cl)Cl)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 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
SCHEMBL8636215 0.81 SMN1; SMN2 (0.33) PLAUSMN1; SMN2TP53MAPTNPC1
SCHEMBL8636720 0.80 ACACB (0.37) PLAUSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8635830 0.78 POLB (0.36) PLAUSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8632153 0.77 PLAU (0.35) PLAUSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8632824 0.75 ALDH1A1 (0.36) PLAUSMN1; SMN2TP53MAPTNPC1
SCHEMBL8636137 0.70 ACACB (0.36) SMN1; SMN2MAPTRAB9AHTTALDH1A1
SCHEMBL8636445 0.69 ACACB (0.38) PLAUSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8635966 0.69 THRB (0.39) HTTPOLB
SCHEMBL8634835 0.69 THRB (0.42) MAPTRAB9AL3MBTL1LMNA
SCHEMBL8632253 0.68 PPARG (0.40)

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