SCHEMBL4729075

SCHEMBL4729075

O=C(F)C=Cc1ccco1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.69
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MASP2 O00187 1/20 0.58
F2 P00734 1/20 0.58
POLB P06746 8/20 0.57
MAPT P10636 7/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ABCG2 Q9UNQ0 1/20 0.56
TDP1 Q9NUW8 4/20 0.55
NPC1 O15118 4/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL7142763 0.83 HCAR2 (0.74) HCAR2MAOAMAOBMASP2F2
SCHEMBL979497 0.83 HCAR2 (0.74) HCAR2MAOAMAOBMASP2F2
SCHEMBL979495 0.83 HCAR2 (0.74) HCAR2MAOAMAOBMASP2F2
SCHEMBL11045884 0.82 HCAR2 (0.71) HCAR2MAOAMAOBMASP2F2
SCHEMBL2561722 0.82 HCAR2 (1.00) HCAR2MAOAMAOBMASP2F2
SCHEMBL8763706 0.82 HCAR2 (0.71) HCAR2MAOAMAOBMASP2F2
SCHEMBL125126 0.82 HCAR2 (1.00) HCAR2MAOAMAOBMASP2F2
SCHEMBL125125 0.82 HCAR2 (1.00) HCAR2MAOAMAOBMASP2F2
SCHEMBL5307638 0.80 HCAR2 (0.69) HCAR2MAOAMAOBMASP2F2
SCHEMBL16198044 0.80 HCAR2 (0.69) HCAR2MAOAMAOBMASP2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011074-A2 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, LLC (US) 2008-01-24 WO disclosed