SCHEMBL7213444

SCHEMBL7213444

CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.34
GRN P28799 2/20 0.34
SORT1 Q99523 2/20 0.34
RRM1 P23921 1/20 0.32
RRM2 P31350 1/20 0.32
RRM2B Q7LG56 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL7099887 0.85 GRN (0.39) CCKBRGRNSORT1RRM1RRM2
SCHEMBL5335559 0.85 GRN (0.39) CCKBRGRNSORT1RRM1RRM2
Hydrochloric Acid SCHEMBL7101089 0.84 GRN (0.38) CCKBRGRNSORT1RRM1RRM2
SCHEMBL13887635 0.81 ITGB3 (0.33) CCKBRGRNSORT1RRM1RRM2
SCHEMBL7097154 0.81 RRM1 (0.32) CCKBRGRNSORT1RRM1RRM2
SCHEMBL29241835 0.81 ITGB3 (0.33) CCKBRGRNSORT1RRM1RRM2
SCHEMBL8323771 0.73 RRM1 (0.37) CCKBRRRM1RRM2RRM2B
SCHEMBL29017706 0.71 CASP1 (0.35)
SCHEMBL29017705 0.71 CASP1 (0.35)
SCHEMBL13887636 0.71 MLYCD (0.34) RRM1RRM2RRM2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627431-B1 Hydrolyzing the ester using a lipase from Pseudomonas and esterase from porcine liver; use as artificial sweetener THE NUTRASWEET COMPANY 2003-09-30 US disclosed
WO-2001085977-A2 CHEMOENZYMATIC SYNTHESIS OF NEOTAME THE NUTRASWEET COMPANY (US) 2001-11-15 WO disclosed