SCHEMBL10969690

SCHEMBL10969690

CCCCCCCCCCCCCCCCOC[C@H](O)COCCCCCCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.56
HTT P42858 1/20 0.54
LPAR5 Q9H1C0 1/20 0.51
LTA4H P09960 1/20 0.48
SPHK1 Q9NYA1 1/20 0.46
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
BCHE P06276 2/20 0.43
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 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
SCHEMBL10969687 1.00 USP2 (0.56) USP2HTTLPAR5LTA4HSPHK1
SCHEMBL10599422 0.86 LPAR5 (0.59) USP2HTTLPAR5
SCHEMBL10349397 0.84 HTT (0.54) USP2HTTLPAR5SPHK1ALDH1A1
Iodide SCHEMBL8916076 0.83 LTA4H (0.56) HTTLTA4HALDH1A1L3MBTL1BCHE
SCHEMBL25869491 0.83 USP2 (0.48) USP2HTTLPAR5LTA4HSPHK1
SCHEMBL9751080 0.83 ALDH1A1 (0.57) USP2HTTLPAR5ALDH1A1L3MBTL1
SCHEMBL25869487 0.82 USP2 (0.47) USP2HTTLPAR5LTA4HSPHK1
SCHEMBL29657260 0.81 LTA4H (0.57) HTTLTA4HGNAI3GNAO1GNAI1
SCHEMBL21348125 0.81 LTA4H (0.57) HTTLTA4HGNAI3GNAO1GNAI1
SCHEMBL21348353 0.81 LTA4H (0.62) HTTLTA4HALDH1A1L3MBTL1KDM4E

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
EP-0146258-A2 Glycerol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1985-06-26 EP claimed