SCHEMBL12679889

SCHEMBL12679889

CC(=O)CCCCCCC(=O)N(c1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
LMNA P02545 3/20 0.59
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MLYCD O95822 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ALOX5 P09917 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL12679837 1.00 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL13468805 1.00 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12679943 1.00 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12679838 0.98 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12856049 0.95 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114800 0.89 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114834 0.89 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114760 0.89 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114751 0.89 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL11815719 0.88 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD

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-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed