SCHEMBL11213784

SCHEMBL11213784

C#CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
GMNN O75496 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR2 Q92731 5/20 0.32
ESR1 P03372 3/20 0.32
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL11209881 0.90 ESR2 (0.42) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11212578 0.88 ESR2 (0.44) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11212984 0.87 HSD17B10 (0.37) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11112096 0.87 HSD17B10 (0.46) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11212726 0.87 HSD17B10 (0.40) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11213144 0.87 ESR2 (0.46) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11213242 0.86 ESR2 (0.47) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11213412 0.84 HSD17B10 (0.41) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11211989 0.82 ESR2 (0.34) HSD17B10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11213888 0.82 ESR2 (0.34) HSD17B10MEN1KMT2ACYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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