SCHEMBL11117983

SCHEMBL11117983

COc1cc2c(c(Cl)c1Cl)C(=O)C(C)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.65
ATM Q13315 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
SLC22A1 O15245 1/20 0.36
NR1I2 O75469 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PDE3A Q14432 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP51A1 Q16850 1/20 0.36

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
SCHEMBL5952485 0.81 ACHE (0.69) ACHEKDM4EALDH1A1HTT
SCHEMBL11112654 0.80 GRM2 (0.51) ACHEATMCA1CA2ALDH1A1
SCHEMBL11115689 0.80 GRM2 (0.43) ACHEKDM4EALDH1A1
SCHEMBL26495157 0.80 ACHE (0.43) ACHEATMKDM4EALDH1A1CYP3A4
SCHEMBL11027295 0.79 GRM2 (0.50) ACHEKDM4EALDH1A1CYP3A4TSHR
SCHEMBL11603610 0.79 HSD17B10 (0.54) ACHECYP3A4TSHRHSD17B10TDP1
SCHEMBL11460630 0.78 ACHE (0.45) ACHECYP3A4TSHRHSD17B10HPGD
SCHEMBL10660910 0.78 GRM2 (0.44) ACHE
SCHEMBL10493480 0.78 GRM2 (0.53) ACHE
SCHEMBL8536280 0.77 KDM4E (0.47) ACHEKDM4EALDH1A1CYP3A4HSD17B10

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 16 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
US-4182764-A DIURETIC, URICOSURIC MERCK & CO., INC. (US) 1980-01-08 US disclosed
US-4177285-A DIURETICS, HYPOTENSIVES MERCK & CO., INC. (US) 1979-12-04 US disclosed
US-4096267-A (1-Oxo-2-aryl or thienyl-2-substituted-5-indanyloxy (or thio) alkanoic acids, and derivatives thereof MERCK & CO., INC. (US) 1978-06-20 US disclosed
US-4085219-A DIURETICS, SALURETICS, URICOSURIC AGENTS MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4081554-A DIURETICS, SALURETICS, URICOSURICS MERCK & CO., INC. (US) 1978-03-28 US disclosed
US-4012524-A DIURETICS, SALURETICS, HYPOURICEMICS, HYPOTENSIVES, ANTIEDEMICS MERCK & CO., INC. (US) 1977-03-15 US disclosed
US-3984552-A 6-Oxo-7-substituted and 7,7-disubstituted-6H-indeno-[5,4-b]furan (and thiophene) carboxylic acids MERCK & CO., INC. (US) 1976-10-05 US disclosed
US-3984465-A DIURETIC, SALURETIC AND URICOSURIC MERCK & CO., INC. (US) 1976-10-05 US disclosed
US-3974212-A DIURETIC, SALURETIC, URICOSURIC MERCK & CO., INC. (US) 1976-08-10 US disclosed