SCHEMBL6495993

SCHEMBL6495993

COc1ccc2c(c1)OC(O)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA5A P35218 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
FFAR1 O14842 1/20 0.46
MTNR1A P48039 2/20 0.43
MTNR1B P49286 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 2/20 0.40
ACHE P22303 2/20 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
SCHEMBL14759266 0.87 DRD2 (0.46) CA2DRD2DRD3MTNR1AMTNR1B
SCHEMBL6505490 0.81 CA2 (0.48) CA2CA5ADRD2DRD3FFAR1
SCHEMBL7317620 0.80 FFAR1 (0.54) CA2CA5ADRD2DRD3FFAR1
SCHEMBL7317624 0.80 FFAR1 (0.54) CA2CA5ADRD2DRD3FFAR1
SCHEMBL2968481 0.80 ESR1 (0.72) FFAR1ESR1ESR2CYP26A1CYP19A1
SCHEMBL22032597 0.80 CA12 (0.38) FFAR1ESR1ESR2CA1
SCHEMBL7320224 0.79 PPARG (0.51) CA2CA5AFFAR1MTNR1AMTNR1B
SCHEMBL7320228 0.79 PPARG (0.51) CA2CA5AFFAR1MTNR1AMTNR1B
SCHEMBL7320221 0.79 PPARG (0.51) CA2CA5AFFAR1MTNR1AMTNR1B
SCHEMBL27221220 0.79 CYP19A1 (0.58) FFAR1ESR1ESR2CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1227104-A1 PROCESSES FOR PRODUCING AND PURIFYING ASPARTAME DERIVATIVES AND PROCESS FOR PRODUCING PRODUCTION INTERMEDIATES Ajinomoto Co., Inc. (JP) 2002-07-31 EP claimed
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
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 US disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 EP disclosed