SCHEMBL5807568

SCHEMBL5807568

CCCCCCCCCCCC(=O)NC(C)(CCC)[N+](C)(C)C(C)(C(=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HSP90AA1 P07900 1/20 0.37
FAAH O00519 3/20 0.36
MAPK1 P28482 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33

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
SCHEMBL2876190 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL2975260 0.78 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAPOLB
Bromide SCHEMBL5083322 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNAPOLB
Perchlorate SCHEMBL284321 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL9294455 0.75 CES2 (0.35) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL9058553 0.75 CES2 (0.35) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL8149544 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAPOLB
Phosphoric Acid SCHEMBL9001314 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAPOLB
Phosphoric Acid SCHEMBL5546550 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL5716399 0.73 FAAH (0.39) ALDH1A1MEN1KMT2AFAAHCES2

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
WO-2006112492-A2 ADDITIVES FOR HIGH-CONCENTRATION ANIONIC SURFACTANTS KAO CORPORATION (JP) 2006-10-26 WO disclosed