SCHEMBL11565832

SCHEMBL11565832

O=C(O)C(O)CNC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ANPEP P15144 4/20 0.49
ERAP2 Q6P179 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
EPHX1 P07099 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL28380252 0.78 ANPEP (0.56) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL28380251 0.78 ANPEP (0.56) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL3537247 0.78 KDM4E (0.53) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL27980382 0.76 KDM4E (1.00) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL3393821 0.76 KDM4E (0.74) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL3547551 0.76 KDM4E (0.50) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL11768023 0.74 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL30777623 0.74 KDM4E (0.71) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL9830012 0.73 EPHX1 (0.52) SMN1; SMN2EPHX1NPC1RAB9AALDH1A1
SCHEMBL24715431 0.72 KDM4E (0.68) KDM4EANPEPERAP2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486061-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS Angiochem Inc. (CA) 2012-08-15 EP disclosed
CN-100506811-C (2S,3S) -3- [ [ (1S) -1-isobutoxymethyl-3-methylbutyl ] carbamoyl ] oxirane-2-carboxylate NIPPON CHEMIPHAR CO (JP) 2009-07-01 CN disclosed
CN-1809549-A Salt of (2S,3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid NIPPON CHEMIPHAR CO (JP) 2006-07-26 CN disclosed
US-4144159-A POLYGLYCIDYL ETHERS OF POLYPHENOLS, CHAIN EXTENSION, SALT FORMATION, QUATERNIZATION PPG INDUSTRIES, INC. (US) 1979-03-13 US disclosed
US-4110287-A Cataphoretic N-heterocyclic-containing resins for electrodeposition PPG INDUSTRIES, INC. (US) 1978-08-29 US disclosed