SCHEMBL8637744

SCHEMBL8637744

CC(C)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1OCC=C(Br)Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.47
FFAR1 O14842 1/20 0.46
LIPE Q05469 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 1/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8633927 0.91 RAB9A (0.49) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8633862 0.87 CYP1A2 (0.44) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8633939 0.87 RAB9A (0.53) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8634551 0.86 RAB9A (0.52) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8633870 0.85 SMN1; SMN2 (0.53) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8636962 0.84 SMN1; SMN2 (0.50) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8632733 0.84 CYP1A2 (0.51) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8634563 0.83 SMN1; SMN2 (0.49) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8635686 0.82 LMNA (0.48) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8636541 0.81 CYP1A2 (0.50) RAB9ALMNASMN1; SMN2ALDH1A1FFAR1

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