SCHEMBL11117547

SCHEMBL11117547

CCCC1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 4/20 0.50
CYP2C9 P11712 3/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
GMNN O75496 1/20 0.50
RECQL P46063 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
ABCC3 O15438 1/20 0.37
PLIN1 O60240 1/20 0.37

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
SCHEMBL11116330 0.93 HSD17B10 (0.53) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11602516 0.92 MEN1 (0.52) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11113992 0.90 MEN1 (0.52) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11112682 0.90 MEN1 (0.52) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL10660309 0.86 MEN1 (0.47) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11604262 0.85 HSD17B10 (0.49) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11115126 0.83 CYP3A4 (0.50) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11603610 0.83 HSD17B10 (0.54) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11213588 0.82 HSD17B10 (0.47) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11111235 0.82 MEN1 (0.49) GRM2MEN1KMT2AHSD17B10TSHR

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 9 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-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-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-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
US-4070539-A DIURETICS, SALURETICS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4012524-A DIURETICS, SALURETICS, HYPOURICEMICS, HYPOTENSIVES, ANTIEDEMICS MERCK & CO., INC. (US) 1977-03-15 US disclosed