SCHEMBL21596447

SCHEMBL21596447

CCCCCC(=O)CC(O)CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.45
DGKA P23743 2/20 0.43
LPAR6 P43657 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL21596417 0.98 LMNA (0.49) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL21596415 0.87 NAAA (0.53) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL5134263 0.82 GAA (0.40) LMNAKMT2AALDH1A1
SCHEMBL5134261 0.82 GAA (0.40) LMNAKMT2AALDH1A1
SCHEMBL1258369 0.81 GAA (0.55) LMNAKDM4EALDH1A1
SCHEMBL1242948 0.80 GPR84 (0.58) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL5147261 0.80 LMNA (0.41) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL22655388 0.79 GPR84 (0.61) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL2310664 0.79 GPR84 (0.61) LMNAKMT2AKDM4EDUSP3MEN1
SCHEMBL7603423 0.79 GPR84 (0.61) LMNAKMT2AKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3993645-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE TO PRODUCE INTRACELLULAR NAD+ Société des Produits Nestlé S.A. (CH) 2022-05-11 EP disclosed
EP-3993770-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE TO PRODUCE INTRACELLULAR NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD+) FOR TREATING OR PREVENTING PHYSIOLOGICAL DISORDERS OR STATES Société des Produits Nestlé S.A. (CH) 2022-05-11 EP disclosed
CN-114126611-A Compositions and methods for producing intracellular NAD + using trigonelline 雀巢产品有限公司 2022-03-01 CN disclosed
CN-114080222-A Compositions and methods for using trigonelline to produce intracellular nicotinamide adenine dinucleotide (NAD +) for treating or preventing physiological disorders or conditions 雀巢产品有限公司 2022-02-22 CN disclosed
US-20210121488-A1 COMPOSITIONS AND METHODS USING A NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD+) PRECURSOR AND AT LEAST ONE KETONE OR KETONE PRECURSOR SOCIETE DES PRODUITS NESTLE S.A. (CH) 2021-04-29 US disclosed
EP-3810120-A2 COMPOSITIONS AND METHODS USING A NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD+) PRECURSOR AND AT LEAST ONE KETONE OR KETONE PRECURSOR Société des Produits Nestlé S.A. (CH) 2021-04-28 EP disclosed
WO-2021004921-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE TO PRODUCE INTRACELLULAR NAD+ Société des Produits Nestlé S.A. (CH) 2021-01-14 WO disclosed
WO-2021004922-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE TO PRODUCE INTRACELLULAR NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD+) FOR TREATING OR PREVENTING PHYSIOLOGICAL DISORDERS OR STATES Société des Produits Nestlé S.A. (CH) 2021-01-14 WO disclosed
WO-2019242982-A2 COMPOSITIONS AND METHODS USING A NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD+) PRECURSOR AND AT LEAST ONE KETONE OR KETONE PRECURSOR SOCIETE DES PRODUITS NESTLE S.A. (CH) 2019-12-26 WO disclosed