SCHEMBL16230596

SCHEMBL16230596

COC(=O)C(CC(Br)C(=O)O)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
MME P08473 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
SLC1A1 P43005 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
SCHEMBL15032840 0.83 ALDH1A1 (0.41) CA2ALDH1A1TSHRKMT2ALCK
SCHEMBL15032838 0.77 CA1 (0.35) CA1CA2ZDHHC7
SCHEMBL27575981 0.77 ZDHHC7 (0.47) CA1CA2ZDHHC7MMEALDH1A1
SCHEMBL1691839 0.74 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL6897321 0.74 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL11022237 0.74 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL19449350 0.73 CA1 (0.39) CA1CA2MMEKMT2A
SCHEMBL10065559 0.72 CA2 (0.61) CA1CA2ZDHHC7ALDH1A1TSHR
SCHEMBL16638165 0.70 ZDHHC7 (0.50) CA1CA2ZDHHC7MMEKMT2A
SCHEMBL490175 0.68 CA1 (0.41) CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359484-B2 Processes for making polyolefin nanocomposites EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-06-07 US disclosed
US-20140336324-A1 PROCESSES FOR MAKING POLYOLEFIN NANOCOMPOSITES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-11-13 US disclosed