SCHEMBL28056520

SCHEMBL28056520

O=S(=O)(O)OCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
SCN9A Q15858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CXCR4 P61073 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 2/20 0.37
NR2F2 P24468 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL26687025 0.84 LMNA (0.49) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL709637 0.81 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2SCN9A
SCHEMBL5272865 0.81 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2SCN9A
SCHEMBL419701 0.81 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2SCN9A
SCHEMBL16640 0.81 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2SCN9A
SCHEMBL29195369 0.81 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2SCN9A
SCHEMBL9579074 0.79 LMNA (0.45) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL4590639 0.77
SCHEMBL13143765 0.77
SCHEMBL16114627 0.77 ALDH1A1 (0.48) LMNAPOLBALDH1A1SMN1; SMN2SCN9A

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-105418546-A Process for producing optically active cyclic ether ester derivative DAICEL FINECHEM LTD 2016-03-23 CN disclosed