SCHEMBL7789779

SCHEMBL7789779

CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCc3ccccc3)c(Cl)c1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.44
ESR1 P03372 3/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PLAU P00749 1/20 0.39
KMT2A Q03164 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL7789776 0.89 MEN1 (0.45) ESR2ESR1RAB9AKMT2AMAPK1
SCHEMBL10683433 0.87 KLK7 (0.44) ESR2ESR1KMT2AMEN1
SCHEMBL7786792 0.86 ESR2 (0.45) ESR2ESR1RAB9AKMT2ACYP3A4
SCHEMBL7789827 0.86 ESR2 (0.44) ESR2ESR1KMT2ACYP3A4CYP2C9
SCHEMBL1888816 0.85 MEN1 (0.51) ESR2ESR1KMT2ACYP3A4CYP2C9
SCHEMBL6572282 0.85 MEN1 (0.51) ESR2ESR1KMT2ACYP3A4CYP2C9
SCHEMBL7983282 0.85 ESR2 (0.43) ESR2ESR1KMT2ACYP3A4CYP2C9
SCHEMBL7782084 0.85 ESR2 (0.43) ESR2ESR1KMT2ACYP3A4CYP2C9
Potassium SCHEMBL10738982 0.84 MEN1 (0.50) ESR2ESR1KMT2ACYP3A4CYP2C9
SCHEMBL10738974 0.84 MEN1 (0.50) ESR2ESR1KMT2ACYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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