SCHEMBL11112982

SCHEMBL11112982

O=C(O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(c1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
BLM P54132 2/20 0.46
HIF1A Q16665 1/20 0.46
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
GMNN O75496 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM2 Q14416 2/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.36
ALOX15 P16050 2/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 3/20 0.35
SLC6A9 P48067 1/20 0.35
PTGDR Q13258 2/20 0.34

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
SCHEMBL11216744 0.86 HSD17B10 (0.37) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11112475 0.85 SLC6A9 (0.38) HSD17B10MEN1KMT2ACYP2C9NPSR1
SCHEMBL11112273 0.82 ESR2 (0.54) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11108258 0.81 HSD17B10 (0.54) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11115756 0.81 ESR2 (0.41) MEN1KMT2ACYP2C9ESR2ESR1
SCHEMBL10660654 0.81 HSD17B10 (0.48) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11109377 0.80 MEN1 (0.50) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11264415 0.80 MEN1 (0.50) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11111591 0.79 HSD17B10 (0.48) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL10656876 0.79 HSD17B10 (0.47) HSD17B10MEN1KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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