SCHEMBL11115017

SCHEMBL11115017

CC(C)C12CCC(=O)C=C1c1c(cc(OCCC(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
BLM P54132 2/20 0.39
HIF1A Q16665 1/20 0.39
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
GMNN O75496 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCL1 Q07820 1/20 0.34
GRM2 Q14416 5/20 0.34
ESR2 Q92731 4/20 0.32
ESR1 P03372 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL11112651 0.90 HSD17B10 (0.49) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL11113247 0.85 MEN1 (0.46) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL11114902 0.83 MEN1 (0.47) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL11120127 0.83 ESR2 (0.36) MEN1KMT2AHSD17B10TSHRLMNA
SCHEMBL11208342 0.82 HSD17B10 (0.38) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL10660600 0.80 HSD17B10 (0.46) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL11216689 0.80 ESR1 (0.32) MEN1KMT2AHSD17B10TSHRLMNA
SCHEMBL11116443 0.78 ESR2 (0.41) ESR2ESR1
SCHEMBL11111591 0.74 HSD17B10 (0.48) MEN1KMT2AHSD17B10TSHRALOX15
SCHEMBL11108258 0.74 HSD17B10 (0.54) MEN1KMT2AHSD17B10TSHRALOX15

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