SCHEMBL11117319

SCHEMBL11117319

CCC12CCC(=O)C=C1c1c(cc(OC(C(=O)O)C(C)C(=O)OCc3ccccc3)c(Cl)c1Cl)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.42
ESR1 P03372 5/20 0.35
GRM2 Q14416 2/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
ACHE P22303 4/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
NR3C1 P04150 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL11119283 0.88 ESR2 (0.44) ESR2ESR1
SCHEMBL11112663 0.85 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL11216695 0.79 ESR2 (0.45) ESR2ESR1
SCHEMBL11118556 0.77 ESR2 (0.46) ESR2ESR1
SCHEMBL11117814 0.76 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL11111847 0.76 ESR2 (0.44) ESR2ESR1
SCHEMBL11117661 0.76 ESR2 (0.42) ESR2ESR1
SCHEMBL11111816 0.75 ESR2 (0.52) ESR2ESR1GRM2
SCHEMBL11116722 0.73 ESR2 (0.47) ESR2ESR1GRM2
SCHEMBL11114978 0.72 ESR2 (0.47) ESR2ESR1GRM2

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
EP-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed