SCHEMBL29905581

SCHEMBL29905581

CCCCCCCC/C=C\CCCCCCCCO[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
AKT1 P31749 2/20 0.73
LMNA P02545 2/20 0.73
PRKD3 O94806 1/20 0.73
PRKCG P05129 1/20 0.73
PRKCB P05771 1/20 0.73
PRKCA P17252 1/20 0.73
PRKCH P24723 1/20 0.73
PRKCI P41743 1/20 0.73
PRKCE Q02156 1/20 0.73
PRKCQ Q04759 1/20 0.73
PRKCZ Q05513 1/20 0.73
PRKCD Q05655 1/20 0.73
PRKD1 Q15139 1/20 0.73
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
GMNN O75496 1/20 0.73
BLM P54132 1/20 0.73

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
SCHEMBL29394546 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL53200 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29365750 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL2126087 0.97 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL9203174 0.97 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL7558240 0.97 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29733465 0.96 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL94022 0.93 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL93475 0.93 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL10565746 0.93 AKT1 (0.83) ALDH1A1MEN1KMT2AAKT1LMNA

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-11442072-B2 Method for measuring LDL aggregation Jenny and Antti Wihuri Foundation (FI) 2022-09-13 US disclosed