SCHEMBL11284149

SCHEMBL11284149

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.43
ESR1 P03372 4/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
HIF1A Q16665 1/20 0.32
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
GMNN O75496 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11114746 0.91 ESR2 (0.44) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11114901 0.86 ESR2 (0.47) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11114356 0.85 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11113198 0.85 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11214339 0.84 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11119283 0.83 ESR2 (0.44) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11117434 0.83 ESR2 (0.44) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11117401 0.83 ESR2 (0.47) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11114410 0.83 ESR2 (0.44) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL11108736 0.83 ESR2 (0.44) 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
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US claimed