SCHEMBL7791087

SCHEMBL7791087

CCCC12CCC(=O)C=C1c1c(cc(OCc3ccccc3C(=O)O)c(Cl)c1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.48
ESR1 P03372 4/20 0.48
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
GRM2 Q14416 1/20 0.37
CLCN2 P51788 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
GMNN O75496 1/20 0.36

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
SCHEMBL7782033 0.99 ESR2 (0.47) ESR2ESR1TP53HTTMRGPRX4
SCHEMBL1888816 0.83 MEN1 (0.51) ESR2ESR1TP53HTTGRM2
SCHEMBL10738974 0.82 MEN1 (0.50) ESR2ESR1TP53HTTGRM2
SCHEMBL1892183 0.80 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL10793663 0.80 ESR2 (0.51) ESR2ESR1GRM2MEN1KMT2A
SCHEMBL7782054 0.80 ESR2 (0.49) ESR2ESR1GRM2MEN1KMT2A
SCHEMBL1885756 0.80 ESR2 (0.49) ESR2ESR1GRM2MEN1KMT2A
SCHEMBL7782038 0.79 ESR2 (0.48) ESR2ESR1GRM2MEN1KMT2A
SCHEMBL10527263 0.79 ESR2 (0.48) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL1891390 0.79 ESR2 (0.46) ESR2ESR1GRM2HSD17B10MAPK1

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