SCHEMBL25282181

SCHEMBL25282181

CCCC(=O)OCC.CCCCOC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
ALDH1A1 P00352 5/20 0.52
NAAA Q02083 1/20 0.52
CYP1A2 P05177 1/20 0.52
HTR2C P28335 1/20 0.50
ATM Q13315 1/20 0.48
DNM1 Q05193 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL28865913 0.94 NAAA (0.61) DGKAALDH1A1NAAACYP1A2HTR2C
SCHEMBL4117806 0.93 DGKA (0.59) DGKAALDH1A1NAAACYP1A2HTR2C
SCHEMBL113994 0.93 DGKA (0.64) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL5268689 0.91 DGKA (0.69) DGKAALDH1A1NAAACYP1A2HTR2C
SCHEMBL8770651 0.91 DGKA (0.57) DGKAALDH1A1NAAACYP1A2HTR2C
SCHEMBL5269755 0.91 DGKA (0.63) DGKAALDH1A1NAAACYP1A2HTR2C
Ammonia Solution, Strong SCHEMBL11778584 0.91 DGKA (0.61) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL9653078 0.91 DGKA (0.61) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL28816080 0.91 DGKA (0.61) DGKAALDH1A1NAAAHTR2CATM
Methyl Alcohol SCHEMBL23295730 0.91 DGKA (0.61) DGKAALDH1A1NAAAHTR2CATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP disclosed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO disclosed