SCHEMBL11278449

SCHEMBL11278449

CCC=CC(Br)CCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
FDPS P14324 3/20 0.33

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
SCHEMBL11278946 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278444 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278941 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278867 0.98 LCK (0.38) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278865 0.98 LCK (0.38) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278927 0.85 LCK (0.39) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11288917 0.85 LCK (0.39) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11288921 0.85 LCK (0.39) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11278933 0.85 LCK (0.39) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11276990 0.83 MEN1 (0.40) LCKPPARDZDHHC20ZDHHC2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000555-B1 PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL BAYER AG (DE) 1982-02-10 EP disclosed
EP-0000554-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed
EP-0000555-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed