SCHEMBL20179984

SCHEMBL20179984

CCOC(=O)CCCNCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
SCN8A Q9UQD0 1/20 0.51
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR2 O95136 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
P2RX3 P56373 1/20 0.44
TOP2A P11388 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL26240668 0.91 LTA4H (0.49) LTA4HSCN8AALDH1A1CYP4F2CYP4A11
SCHEMBL11953341 0.87 KDM4E (0.58) LTA4HS1PR1S1PR3S1PR2ALDH1A1
SCHEMBL8851568 0.87 LTA4H (0.63) LTA4HALDH1A1SMN1; SMN2TOP2A
SCHEMBL537492 0.86 KDM4E (0.62) LTA4HSCN8AALDH1A1KDM4ESMN1; SMN2
SCHEMBL27573257 0.85 L3MBTL1 (0.50) LTA4HS1PR1S1PR3S1PR2ALDH1A1
SCHEMBL20493693 0.83 LTA4H (0.51) LTA4HS1PR1S1PR3S1PR2ALDH1A1
SCHEMBL11954288 0.83 SCN8A (0.53) LTA4HSCN8AS1PR1S1PR3S1PR2
SCHEMBL20197071 0.82 HDAC3 (0.63) LTA4HSCN8AALDH1A1HPGD
SCHEMBL3057335 0.81 LTA4H (0.62) LTA4HALDH1A1SMN1; SMN2
SCHEMBL5940295 0.80 LTA4H (0.50) LTA4HS1PR1ALDH1A1CYP4F2CYP4A11

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-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed