SCHEMBL5411599

SCHEMBL5411599

COC1=CC2=CC(=O)CCC2C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
CYP19A1 P11511 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL9802522 0.73 NPSR1 (0.34)
SCHEMBL123431 0.70 CA1 (0.34) CA1CA9
SCHEMBL124270 0.67 CA1 (0.32) CA1CA9
SCHEMBL124904 0.64 ALDH1A1 (0.51) NCOA1NCOA3
SCHEMBL14409186 0.62 NPC1 (0.42) L3MBTL1
SCHEMBL10434464 0.61
SCHEMBL14860552 0.61 MMP2 (0.49) MMP2CYP19A1NR3C1PGRNR3C2
SCHEMBL5411596 0.59 MAPK1 (0.30)
SCHEMBL450333 0.59
SCHEMBL16504349 0.58 CYP19A1 (0.37) MMP2CYP19A1

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-7264891-B2 Organic electroluminescent device and organic electroluminescent compound thereof RIT DISPLAY CORPORATION (TW) 2007-09-04 US disclosed
US-20040131885-A1 Organic electroluminescent device and organic electroluminescent compound thereof RITDISPLAY CORPORATION (TW) 2004-07-08 US disclosed