SCHEMBL6827197

SCHEMBL6827197

CC(C)C[C@H](NC(=O)C[13C](C)=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.55
FOLH1 Q04609 7/20 0.51
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
MME P08473 1/20 0.50
LAP3 P28838 3/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.47
PLA2G2A P14555 2/20 0.46
PLA2G5 P39877 2/20 0.46

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
SCHEMBL30475340 1.00 ALDH1A1 (0.68) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL2555974 1.00 ALDH1A1 (0.68) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL4572568 0.86 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29148902 0.84 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL65869 0.84 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL65868 0.84 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL5092503 0.82 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL5092487 0.82 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9830454 0.82 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL16850468 0.82 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT

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-6740305-B1 FEEDING PATIENT MEAL INCLUDING, AS BREATH TEST FOOD ADDITIVE SUBSTRATE, LINEAR ACYL AMINOACID PEPTIDOMIMETIC WITH RADIOACTIVE OR NON-RADIOACTIVELY LABELED CARBON ATOM, DETECTING LEVEL OF LABELED CARBON DIOXIDE IN BREATH SAMPLES XANTHUS LIFE SCIENES, INC. 2004-05-25 US disclosed