SCHEMBL11113780

SCHEMBL11113780

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.42
ESR1 P03372 5/20 0.36
CTRC Q99895 1/20 0.31
PPARG P37231 2/20 0.31
GRM2 Q14416 2/20 0.31
PPARA Q07869 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11112864 0.98 ESR2 (0.41) ESR2ESR1CTRCPPARGGRM2
SCHEMBL11117258 0.85 ESR2 (0.45) ESR2ESR1MEN1ALOX15TSHR
SCHEMBL11117324 0.84 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL11118556 0.83 ESR2 (0.46) ESR2ESR1MEN1ALOX15TSHR
SCHEMBL11117319 0.83 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL11113198 0.82 ESR2 (0.46) ESR2ESR1GRM2PPARAMEN1
SCHEMBL11112251 0.82 ESR2 (0.42) ESR2ESR1MEN1ALOX15TSHR
SCHEMBL11115585 0.81 ESR2 (0.44) ESR2ESR1MEN1ALOX15TSHR
SCHEMBL11115262 0.80 ESR2 (0.43) ESR2ESR1MEN1ALOX15TSHR
SCHEMBL11114410 0.80 ESR2 (0.44) ESR2ESR1MEN1ALOX15TSHR

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 7 patents. 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
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed