SCHEMBL11115262

SCHEMBL11115262

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.43
ESR1 P03372 3/20 0.36
MEN1 O00255 2/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 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
SCHEMBL11118556 0.89 ESR2 (0.46) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11117231 0.89 ESR2 (0.45) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11113198 0.88 ESR2 (0.46) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11117258 0.88 ESR2 (0.45) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11113220 0.87 ESR2 (0.44) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11115585 0.87 ESR2 (0.44) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11117434 0.87 ESR2 (0.44) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11113070 0.86 ESR2 (0.43) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11117661 0.86 ESR2 (0.42) ESR2ESR1MEN1TSHRKMT2A
SCHEMBL11114410 0.86 ESR2 (0.44) ESR2ESR1MEN1TSHRKMT2A

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