SCHEMBL11280098

SCHEMBL11280098

CCOC(=O)C(Br)CCCCCCCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.51
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
KMT2A Q03164 2/20 0.41
PAOX Q6QHF9 3/20 0.39
CPB2 Q96IY4 2/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9620497 0.89 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415326 0.87 ZDHHC7 (0.59) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9714798 0.86 ZDHHC7 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL28979206 0.86 ZDHHC7 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9489696 0.86 ZDHHC7 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10929023 0.86 ZDHHC7 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27750312 0.84 KMT2A (0.50) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9548556 0.83 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1007430 0.83 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL4704070 0.83 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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-0006353-B1 PROSTAGLANDIN ANALOGUE IMIDAZOLE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-08-04 EP disclosed
US-4241074-A BRONCHODILATORS BEECHAM GROUP LIMITED (GB) 1980-12-23 US disclosed
EP-0006353-A1 Prostaglandin analogue imidazole derivatives, a process for their preparation and a pharmaceutical composition containing them BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed