SCHEMBL9968162

SCHEMBL9968162

CC(C)Cc1ccc2c(c1)c1cc(CC(C)(C)C)ccc1n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
RORC P51449 2/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORB Q92753 1/20 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
SCHEMBL12083708 0.88 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20385042 0.81 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9968160 0.81 GPR3 (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9968163 0.81 GPR3 (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25460096 0.77 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23621762 0.76 IKBKE (0.40) MAPTKDM4EALDH1A1HPGDGABRA1
SCHEMBL9968103 0.76 MAOA (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9968122 0.75 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25058982 0.74 HPGD (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27307022 0.73 ESR1 (0.54) MAPTALDH1A1GABRA1GABRB2ESR1

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
EP-2475020-A1 ORGANIC ELECTROLUMINESCENT ELEMENT FUJIFILM Corporation (JP) 2012-07-11 EP disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed