SCHEMBL11116499

SCHEMBL11116499

CCCCC12CCC(=O)C=C1c1c(cc(OC(C)(C(=O)O)C(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.51
ESR1 P03372 14/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11115086 0.94 ESR2 (0.49) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11117401 0.90 ESR2 (0.47) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11215443 0.87 ESR2 (0.48) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11111293 0.86 HSD17B10 (0.56) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11109208 0.85 ESR2 (0.53) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11213144 0.85 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11109205 0.84 ESR2 (0.52) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11116722 0.83 ESR2 (0.47) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11116505 0.82 ESR2 (0.48) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11214339 0.81 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSD17B10

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
EP-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed