SCHEMBL28046608

SCHEMBL28046608

O=C(CC[C@H](O)c1ccc(F)cc1)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 2/20 0.56
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
HPGD P15428 2/20 0.50
SLC1A1 P43005 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL7166881 0.90 GAA (0.62) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL21424287 0.80 MEN1 (0.52) LMNAHTTMEN1KMT2AL3MBTL1
SCHEMBL12209182 0.77 LMNA (0.60) LMNAALDH1A1RAB9AHTTGAA
SCHEMBL639534 0.77 HDAC1 (0.49)
SCHEMBL639533 0.77 HDAC1 (0.49)
SCHEMBL18134713 0.77 ALDH1A1 (0.56) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL7354606 0.77 MEN1 (0.60) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL6635643 0.77 GAA (0.60) LMNAALDH1A1HTTGAAMEN1
SCHEMBL8058781 0.76 LMNA (0.57) LMNAALDH1A1RAB9AHTTGAA
SCHEMBL641514 0.75 FOLH1 (0.46) HTT

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
CN-104080777-B Morpholinyl derivatives as MOGAT-2 inhibitors ELI LILLY AND CO. (US) 2015-12-09 CN disclosed