SCHEMBL7787597

SCHEMBL7787597

CCC[C@]12CCC(=O)C=C1c1c(cc(OCC3=NCCO3)c(Cl)c1Cl)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.45
ESR1 P03372 6/20 0.45
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM2 Q14416 2/20 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
SCHEMBL1905793 1.00 ESR2 (0.45) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL7789804 0.91 ESR2 (0.41) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL7782046 0.91 ESR2 (0.41) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL7789832 0.91 ESR2 (0.38) ESR2ESR1
SCHEMBL7786899 0.86 ESR2 (0.40) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL1888940 0.86 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL7782050 0.86 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL1892183 0.85 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL7789806 0.85 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL1888520 0.84 ESR2 (0.41) ESR2ESR1GRM2

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-6251898-B1 Medical use of fluorenone derivatives for treating and preventing brain and spinal injury QUESTCOR PHARMACEUTICALS, INC. 2001-06-26 US disclosed