SCHEMBL6499654

SCHEMBL6499654

Oc1ccc2c(c1)OC(O)CC2

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.68
ESR1 P03372 3/20 0.68
CHRNA7 P36544 2/20 0.52
PTPN1 P18031 1/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49

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
SCHEMBL634750 0.85 ESR1 (0.68) ESR2ESR1CHRNA7DRD2DRD4
Tupichinol C SCHEMBL2960172 0.81 ESR2 (1.00) ESR2ESR1CHRNA7PTPN1
Tupichinol C SCHEMBL31060867 0.81 ESR2 (1.00) ESR2ESR1CHRNA7PTPN1
Tupichinol C SCHEMBL30205825 0.81 ESR2 (1.00) ESR2ESR1CHRNA7PTPN1
Tupichinol C SCHEMBL6822846 0.81 ESR2 (1.00) ESR2ESR1CHRNA7PTPN1
SCHEMBL29196213 0.80 ESR2 (0.45) ESR2ESR1CHRNA7PTPN1
SCHEMBL6498134 0.80 ESR2 (0.45) ESR2ESR1CHRNA7PTPN1
SCHEMBL27706404 0.80 ESR1 (0.61) ESR2ESR1CHRNA7DRD2DRD4
SCHEMBL28011773 0.80 ESR1 (0.61) ESR2ESR1CHRNA7DRD2DRD4
SCHEMBL27946028 0.80 ESR1 (0.61) ESR2ESR1CHRNA7DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61069770-A None JP disclosed
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
JP-S6169770-A PREPARATION OF POLYALKYL-7-HYDROXY-4H-CHROMENE AND POLYALKYL-2,7-DIHYDROXYCHROMANE MITSUI PETROCHEM IND LTD 1986-04-10 JP disclosed