SCHEMBL6505239

SCHEMBL6505239

CCOC1CCc2ccc(O)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
CHRNA7 P36544 2/20 0.48

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
SCHEMBL6504370 0.84 CYP4F2 (0.35) ESR1ESR2
SCHEMBL6495855 0.83 ESR1 (0.56) ESR1ESR2CHRNA7
SCHEMBL10703422 0.82 DRD2 (0.57) ESR1ESR2
SCHEMBL6508806 0.81 DRD2 (0.45)
SCHEMBL13528608 0.78 CA2 (0.44)
SCHEMBL1933399 0.77 DRD2 (0.52)
SCHEMBL17965962 0.77 DRD2 (0.58) ESR1ESR2
SCHEMBL10589418 0.77 ESR1 (0.52) ESR1ESR2
SCHEMBL10589763 0.77 ESR1 (0.52) ESR1ESR2
SCHEMBL9847625 0.76 ALDH1A1 (0.43)

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
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
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed