SCHEMBL9312947

SCHEMBL9312947

Cc1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1.Oc1ccc(C2CCc3ccc(O)cc3O2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.50
ESR1 P03372 4/20 0.50
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP19A1 P11511 1/20 0.41
TYR P14679 1/20 0.41
PTPN1 P18031 1/20 0.40
CHRNA7 P36544 2/20 0.39

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
SCHEMBL1447356 0.82 ESR2 (0.68) ESR2ESR1PTGS1PTGS2CYP19A1
SCHEMBL30058248 0.82 ESR2 (0.68) ESR2ESR1PTGS1PTGS2CYP19A1
SCHEMBL9312940 0.73 ESR2 (0.55) ESR2ESR1PTGS1PTGS2CYP19A1
SCHEMBL31545601 0.71 ESR2 (0.72) ESR2ESR1PTPN1CHRNA7
SCHEMBL247903 0.69 SENP1 (0.50) ESR2ESR1
Tupichinol C SCHEMBL2960172 0.69 ESR2 (1.00) ESR2ESR1CYP19A1PTPN1CHRNA7
Tupichinol C SCHEMBL31060867 0.69 ESR2 (1.00) ESR2ESR1CYP19A1PTPN1CHRNA7
Tupichinol C SCHEMBL6822846 0.69 ESR2 (1.00) ESR2ESR1CYP19A1PTPN1CHRNA7
Tupichinol C SCHEMBL30205825 0.69 ESR2 (1.00) ESR2ESR1CYP19A1PTPN1CHRNA7
SCHEMBL30884131 0.68 PTGS1 (0.55) ESR2ESR1PTGS1PTGS2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283314-A Polymerizing an oligomer of a dihydric phenol and a branching agent with a dihydric alcohol and a monohydric phenol with stirring IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-02-01 US disclosed