SCHEMBL16804577

SCHEMBL16804577

CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6oc7ccccc7c6c5)ccc3-4)c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
PGR P06401 2/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
MAOA P21397 1/20 0.32
ALK Q9UM73 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 4/20 0.31
MAPT P10636 4/20 0.31
KMT2A Q03164 4/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 3/20 0.31
AHR P35869 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 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
SCHEMBL12694852 0.96 CASP3 (0.34) PGRCASP3SENP7SENP6HSP90AA1
SCHEMBL10110490 0.96 HCRTR1 (0.37) HCRTR1PGRLPLLIPGMAOA
SCHEMBL10109952 0.94 LPL (0.35) PGRCASP3SENP7SENP6HSP90AA1
SCHEMBL10109970 0.94 LPL (0.35) PGRCASP3SENP7SENP6HSP90AA1
SCHEMBL15496202 0.94 LPL (0.35) PGRCASP3SENP7SENP6HSP90AA1
SCHEMBL15496166 0.94 LPL (0.35) PGRCASP3SENP7SENP6HSP90AA1
SCHEMBL10110448 0.94 HCRTR1 (0.35) HCRTR1PGRLPLLIPGMAOA
SCHEMBL10110472 0.94 HCRTR1 (0.35) HCRTR1PGRLPLLIPGMAOA
SCHEMBL9916707 0.93 HCRTR1 (0.37) HCRTR1PGRCASP3SENP7SENP6
SCHEMBL9916736 0.93 HCRTR1 (0.35) HCRTR1PGRLPLLIPGALK

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
US-9257663-B2 Organic electroluminescent element and display device SONY CORPORATION (JP) 2016-02-09 US disclosed
US-20150171356-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-06-18 US disclosed
US-20150171356-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-06-18 US disclosed