SCHEMBL3968993

SCHEMBL3968993

O=C(O)NCCC(O)c1cccc(OCCCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
POLB P06746 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL3963466 0.85 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2HPGD
SCHEMBL2207238 0.85 TDP1 (0.48)
SCHEMBL15151046 0.83 TDP1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL27996046 0.83 HPGD (0.51) KDM4EALDH1A1LMNASMN1; SMN2MTNR1A
SCHEMBL2209251 0.82 PRSS1 (0.42) ALDH1A1LMNASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL29818671 0.82 PRSS1 (0.42) ALDH1A1LMNASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL19291775 0.82 PRSS1 (0.42) ALDH1A1LMNASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL3704874 0.82 CACNA1B (0.47) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL2207665 0.81 MAPK1 (0.43) KDM4EALDH1A1LMNASMN1; SMN2CYSLTR2
SCHEMBL29818745 0.81 MAPK1 (0.43) KDM4EALDH1A1LMNASMN1; SMN2CYSLTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103553945-B Alkoxy compounds for disease treatment ACUCELA INC 2015-01-07 CN disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed