SCHEMBL11111235

SCHEMBL11111235

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
GMNN O75496 1/20 0.45
PTGDR Q13258 4/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
GRM2 Q14416 5/20 0.39
RECQL P46063 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER2 P43116 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
SCHEMBL11112682 0.84 MEN1 (0.52) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11113992 0.84 MEN1 (0.52) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11117547 0.82 GRM2 (0.56) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11115126 0.82 CYP3A4 (0.50) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11115805 0.82 ACHE (0.39) GRM2
SCHEMBL11604262 0.81 HSD17B10 (0.49) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11213588 0.81 HSD17B10 (0.47) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11116330 0.81 HSD17B10 (0.53) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11112838 0.81 CYP3A4 (0.46) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11602516 0.80 MEN1 (0.52) MEN1KMT2AHSD17B10CYP2C9LMNA

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
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-4260805-A BRONCHODILATOR AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed