SCHEMBL6505490

SCHEMBL6505490

COc1ccc2c(c1)OC(OC)CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
FFAR1 O14842 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
CYP19A1 P11511 2/20 0.40
MTNR1B P49286 1/20 0.40
DRD4 P21917 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL6508806 0.85 DRD2 (0.45) CA2CA5ADRD2DRD3FFAR1
SCHEMBL9847659 0.83 ALDH1A1 (0.46) DRD2DRD3
SCHEMBL6495993 0.81 CA2 (0.48) CA2CA5ADRD2DRD3FFAR1
SCHEMBL6495855 0.81 ESR1 (0.56)
SCHEMBL27610321 0.81 ESR1 (0.36) DRD2DRD3
SCHEMBL6497031 0.80 HTR6 (0.56) CA2CA5A
SCHEMBL7321911 0.78 FFAR1 (0.52) CA2CA5ADRD2DRD3FFAR1
SCHEMBL7316922 0.78 FFAR1 (0.52) CA2CA5ADRD2DRD3FFAR1
SCHEMBL27610322 0.78 ESR1 (0.34)
SCHEMBL14857588 0.78 FFAR1 (0.45) CA2CA5AFFAR1CYP19A1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841183-B2 Process for producing aspartame derivatives, process for purifying aspartame derivatives, production intermediates, and process for producing production intermediates AJINOMOTO CO., INC. (JP) 2005-01-11 US disclosed
US-20020127320-A1 Process for producing aspartame derivatives, process for purifying aspartame derivatives, production intermediates, and process for producing production intermediates AJINOMOTO CO., INC. (JP) 2002-09-12 US disclosed
EP-1227104-A1 PROCESSES FOR PRODUCING AND PURIFYING ASPARTAME DERIVATIVES AND PROCESS FOR PRODUCING PRODUCTION INTERMEDIATES Ajinomoto Co., Inc. (JP) 2002-07-31 EP disclosed