SCHEMBL11111844

SCHEMBL11111844

CCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCCC(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
HIF1A Q16665 1/20 0.40
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
GMNN O75496 1/20 0.39
ESR1 P03372 4/20 0.35
GRM2 Q14416 1/20 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
SCHEMBL11116161 0.89 ESR2 (0.39) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11109377 0.88 MEN1 (0.50) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11264415 0.88 MEN1 (0.50) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11113532 0.87 ESR2 (0.46) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11114902 0.86 MEN1 (0.47) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11113777 0.84 ESR2 (0.41) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL7786792 0.84 ESR2 (0.45) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11421713 0.84 ESR2 (0.44) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11114978 0.83 ESR2 (0.47) ESR2NPSR1KMT2AHSD17B10MEN1
SCHEMBL11114155 0.83 ESR2 (0.47) ESR2NPSR1KMT2AHSD17B10MEN1

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