SCHEMBL11116530

SCHEMBL11116530

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
ADRB3 P13945 1/20 0.40
GPR183 P32249 1/20 0.40
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
GMNN O75496 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.35

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 0.84 MEN1 (0.52) GRM2HSD17B10CYP3A4CYP2C9MEN1
SCHEMBL11112682 0.84 MEN1 (0.52) GRM2HSD17B10CYP3A4CYP2C9MEN1
SCHEMBL11211022 0.81 ALDH1A1 (0.46) HSD17B10CYP3A4CYP2C9MEN1LMNA
SCHEMBL11603591 0.76 PSEN1 (0.36) HSD17B10ELANECD69KDM4EALDH1A1
SCHEMBL11602385 0.76 MAPT (0.39) HSD17B10LMNATSHRGLAL3MBTL1
SCHEMBL11602685 0.76 HSD17B10 (0.44) HSD17B10CYP3A4CYP2C9MEN1LMNA
SCHEMBL11715826 0.75 HSD17B10 (0.41) HSD17B10CYP3A4CYP2C9MEN1LMNA
SCHEMBL11117547 0.74 GRM2 (0.56) GRM2HSD17B10CYP3A4CYP2C9MEN1
SCHEMBL11707213 0.74 GRM2 (0.48) GRM2ADRB3GPR183HSD17B10CYP3A4
SCHEMBL11746567 0.74 KDM4E (0.40) HSD17B10MEN1KMT2ATSHRPTGDR2

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-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