SCHEMBL6474533

SCHEMBL6474533

CC(C)(C)OC(=O)C(Br)CCCBr

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7894283 0.94 ZDHHC7 (0.44) ZDHHC7MEN1GAAKMT2ALCK
SCHEMBL343267 0.88 ZDHHC7 (0.36) ZDHHC7MEN1GAAKMT2ACA1
SCHEMBL8785206 0.86 ZDHHC7 (0.39) ZDHHC7MEN1GAAKMT2ALCK
SCHEMBL2007637 0.85 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7329329 0.85 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL29772196 0.83 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10068415 0.83 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9697068 0.81 ZDHHC7 (0.66) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL14037392 0.81 CYP1A2 (0.44) ZDHHC7GAAKMT2ATDP1
SCHEMBL30744785 0.81 MEN1 (0.35) MEN1GAAKMT2ACA1CA2

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
WO-2005122682-A2 PROCESS FOR THE PREPARATION OF ESTERS OF PIPERAZIC ACID RANBAXY LABORATORIES LIMITED (IN) 2005-12-29 WO disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed