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SCHEMBL11112682

SCHEMBL11112682

CCC1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ TSHR P16473 4/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ GRM2 Q14416 4/20 0.46
▸ RECQL P46063 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ PLIN1 O60240 1/20 0.38

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
SCHEMBL11113992 1.00 MEN1 (0.52) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11117547 0.90 GRM2 (0.56) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11116330 0.88 HSD17B10 (0.53) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11602516 0.87 MEN1 (0.52) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11604262 0.87 HSD17B10 (0.49) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11601061 0.87 TSHR (0.52) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11709598 0.86 MEN1 (0.53) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11115126 0.85 CYP3A4 (0.50) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11603610 0.85 HSD17B10 (0.54) MEN1KMT2AHSD17B10TSHRCYP2C9
SCHEMBL11213588 0.84 HSD17B10 (0.47) MEN1KMT2AHSD17B10TSHRCYP2C9

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 12 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-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-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
US-3984465-A DIURETIC, SALURETIC AND URICOSURIC MERCK & CO., INC. (US) 1976-10-05 — — US disclosed