SCHEMBL11264415

SCHEMBL11264415

CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2C9 P11712 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
HIF1A Q16665 2/20 0.50
ESR2 Q92731 7/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
GMNN O75496 1/20 0.48
RECQL P46063 2/20 0.40
ALOX15 P16050 1/20 0.40
ESR1 P03372 4/20 0.40
GRM2 Q14416 4/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL11109377 1.00 MEN1 (0.50) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11421713 0.93 ESR2 (0.44) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL1888816 0.92 MEN1 (0.51) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL6572282 0.92 MEN1 (0.51) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL10738974 0.91 MEN1 (0.50) MEN1KMT2AHSD17B10CYP2C9LMNA
Potassium SCHEMBL10738982 0.91 MEN1 (0.50) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11114155 0.91 ESR2 (0.47) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11114978 0.91 ESR2 (0.47) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL10660654 0.91 HSD17B10 (0.48) MEN1KMT2AHSD17B10CYP2C9LMNA
SCHEMBL11111293 0.90 HSD17B10 (0.56) 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 1 patent. 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