Aspartame

Aspartame

SCHEMBL2107955

COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O.COC(=O)[C@H](C)N(C(=O)[C@@H](N)CC(=O)O)c1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
OPRK1 P41145 1/20 0.47
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
BIRC2 Q13490 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL421787 0.86 KMT2A (0.42) ALDH1A1LMNA
SCHEMBL23923952 0.86 KMT2A (0.42) ALDH1A1LMNA
Aspartame SCHEMBL3637 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL216238 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL900809 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8761655 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10635593 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL11085391 0.86 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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-8158173-B2 Composition for coating, process for coating and frozen coated confection CONOPCO, INC. (US) 2012-04-17 US disclosed