SCHEMBL23064792

SCHEMBL23064792

C=CCCCCCCCCC(=O)N(c1ccccc1)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30404353 0.83 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL11784549 0.83 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL28367202 0.83 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL23086144 0.83 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL11336382 0.79 ALDH1A1 (0.48) MAPTABCC4ALDH1A1LMNAPOLB
SCHEMBL11340869 0.79 ALDH1A1 (0.48) MAPTABCC4ALDH1A1LMNAPOLB
SCHEMBL16097220 0.79 MAPT (0.50) MAPTABCC4ALDH1A1LMNATRPM8
SCHEMBL11272120 0.76 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2POLB
SCHEMBL8922653 0.75 ALDH1A1 (0.54) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL7445267 0.75 MLYCD (0.55) ALDH1A1LMNATP53SMN1; SMN2KMT2A

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
EP-3621949-B1 PROCESS FOR THE SYNTHESIS OF N-ACYL AMINO ACIDS WITHOUT THE USE OF SOLVENTS OR ACID CHLORIDE SOC DEXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2021-03-10 EP disclosed