SCHEMBL6504370

SCHEMBL6504370

CCOC1CCc2ccc(C)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 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
SCHEMBL6505239 0.84 ESR1 (0.52) ESR1ESR2
SCHEMBL6508806 0.82 DRD2 (0.45)
SCHEMBL13528608 0.80 CA2 (0.44) CYP4F2CYP4A11
SCHEMBL9847625 0.77 ALDH1A1 (0.43) POLB
SCHEMBL13766521 0.75 DRD2 (0.48) CYP4F2CYP4A11ESR1ESR2CHRM1
SCHEMBL27687698 0.75 DRD2 (0.48) CYP4F2CYP4A11ESR1ESR2CHRM1
SCHEMBL12660944 0.74 CYP4F2 (0.64) CYP4F2CYP4A11POLB
SCHEMBL10262750 0.74 CREBBP (0.41) ESR1ESR2
SCHEMBL6498134 0.72 ESR2 (0.45) ESR1ESR2
SCHEMBL10506130 0.72 DRD2 (0.42)

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