SCHEMBL17637516

SCHEMBL17637516

NCCCC(N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.56
▸ SPHK1 Q9NYA1 6/20 0.55
▸ SPHK2 Q9NRA0 1/20 0.54
▸ S1PR1 P21453 3/20 0.47
▸ S1PR3 Q99500 3/20 0.47
▸ S1PR4 O95977 2/20 0.47
▸ S1PR5 Q9H228 2/20 0.47
▸ S1PR2 O95136 1/20 0.47
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ TERT O14746 3/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42

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
SCHEMBL17661962 1.00 LTA4H (0.56) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL13258710 0.95 LTA4H (0.62) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL26266218 0.87 SPHK1 (0.68) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16847450 0.85 SPHK1 (0.53) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL24668626 0.83 LTA4H (0.54) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL14956872 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17201789 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL20164120 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL12634418 0.83 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17801791 0.83 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3

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-2016046574-A1 BIOLOGICAL MATERIALS AND USES THEREOF ANTIKOR BIOPHARMA LIMITED (GB) 2016-03-31 — — WO disclosed
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