SCHEMBL16860587

SCHEMBL16860587

CCCCCCCCCCCCCCCCC(Br)(Br)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
HTT P42858 1/20 0.47
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CES2 O00748 1/20 0.40
ESR1 P03372 1/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
GGPS1 O95749 1/20 0.38
SMPD1 P17405 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL25975527 0.84 MEN1 (0.42) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8009858 0.82 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL16860505 0.82 MAPT (0.45) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL3038602 0.81 CYP1A2 (0.48) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL25247450 0.81 CYP4F2 (0.73) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11514202 0.81 CYP4F2 (0.73) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9574956 0.81 CYP4F2 (0.73) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7516322 0.80 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11001712 0.80 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL21046041 0.80 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1

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-3087155-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI Albemarle Corporation (US) 2016-11-02 EP disclosed
US-20160289527-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORP (US) 2016-10-06 US disclosed
WO-2015100004-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORPORATION (US) 2015-07-02 WO disclosed