SCHEMBL7791096

SCHEMBL7791096

CCC[C@]12CCC(=O)C=C1c1c(cc(OCc3ccccn3)c(Cl)c1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.48
ESR1 P03372 3/20 0.48
SYK P43405 4/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
GRM2 Q14416 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1892357 1.00 ESR2 (0.48) ESR2ESR1SYKUSP2ALDH1A1
SCHEMBL7789776 0.86 MEN1 (0.45) ESR2ESR1USP2ALDH1A1MEN1
SCHEMBL7786874 0.84 ESR2 (0.46) ESR2ESR1ALDH1A1HSD17B10GRM2
SCHEMBL1891390 0.84 ESR2 (0.46) ESR2ESR1ALDH1A1HSD17B10GRM2
SCHEMBL10529811 0.84 ESR2 (0.54) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL9813152 0.81 ESR2 (0.45) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL7786915 0.80 ESR2 (0.45) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL9815620 0.79 ESR2 (0.47) ESR2ESR1MEN1KMT2AHSD17B10
SCHEMBL6572282 0.79 MEN1 (0.51) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL1888816 0.79 MEN1 (0.51) ESR2ESR1ALDH1A1MEN1KMT2A

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 2 patents. 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
WO-2001014334-A1 FLUORENONE COMPOUNDS WITH MODIFIED 7-POSITION SUBSTITUENTS FOR TREATING AND PREVENTING BRAIN AND SPINAL INJURY QUESTCOR PHARMACEUTICALS, INC. (US) 2001-03-01 WO disclosed