SCHEMBL4072985

SCHEMBL4072985

CC(C)(C)C(Cc1ccc(Br)cc1)OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
EPHX1 P07099 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ACACB O00763 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1937035 0.86 EPHX2 (0.37) EPHX1LMNANPC1RAB9A
SCHEMBL1936444 0.86 PPARG (0.41) EPHX1PPARGPPARA
SCHEMBL28652308 0.84 SRR (0.45) EPHX1PPARGPPARALMNANPC1
SCHEMBL1935049 0.82 EPHX2 (0.39) EPHX1KMT2ALMNA
SCHEMBL28474974 0.81 CA2 (0.47)
SCHEMBL28703866 0.79 KMT2A (0.38) KMT2AHDAC1HDAC6LMNANPC1
SCHEMBL2512713 0.79 EPHX1 (0.49) MMEEPHX1MEN1KMT2AACACB
SCHEMBL18039530 0.74 MEN1 (0.41) MMEEPHX1MEN1KMT2AACACB
SCHEMBL28617150 0.74 GAA (0.46) MEN1KMT2A
SCHEMBL476130 0.74 PPARD (0.42) PPARA

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
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed