SCHEMBL11215414

SCHEMBL11215414

CC(C)(C(=O)O)C(Oc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(C1CC1)C2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 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
HIF1A Q16665 1/20 0.36
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
GMNN O75496 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL11213037 0.85 ESR1 (0.42) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11216689 0.83 ESR1 (0.32) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11214119 0.83 ESR2 (0.36) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11114746 0.82 ESR2 (0.44) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11209779 0.81 CYP3A4 (0.30) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11214339 0.81 ESR2 (0.46) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11220153 0.80 HSD17B10 (0.43) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11111662 0.80 HSD17B10 (0.54) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11211989 0.79 ESR2 (0.34) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11215443 0.79 ESR2 (0.48) HSD17B10MEN1KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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