SCHEMBL29934652

SCHEMBL29934652

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
NR5A2 O00482 2/20 0.74
NR5A1 Q13285 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MAPT P10636 1/20 0.66
RECQL P46063 1/20 0.58
FABP3 P05413 1/20 0.58
SELP P16109 1/20 0.54
S1PR1 P21453 1/20 0.49
ADRA1D P25100 1/20 0.49
PTAFR P25105 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKCA P17252 1/20 0.47

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
SCHEMBL29934318 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934690 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934304 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934555 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934547 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934630 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL235516 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934616 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934533 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29934680 1.00 ALDH1A1 (0.74) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed