SCHEMBL9968128

SCHEMBL9968128

Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
PGR P06401 2/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KIF11 P52732 2/20 0.34
KCNH2 Q12809 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALOX5AP P20292 1/20 0.33
NR1I2 O75469 2/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA4 P48169 2/20 0.33

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
SCHEMBL2604384 0.82 HTR1D (0.50) HTR1DPGRRORARORCRORB
SCHEMBL9968120 0.81 TOP2A (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL12611168 0.79 HTR1D (0.47) HTR1DPGRRORARORCRORB
Benzene SCHEMBL28231296 0.79 HTR1D (0.47) HTR1DPGRRORARORCRORB
SCHEMBL2604388 0.78 TSHR (0.46) HTR1DPGRRORARORCRORB
SCHEMBL9968101 0.77 ADORA3 (0.44) HTR1DPGRRORARORCRORB
SCHEMBL9968105 0.75 MAOA (0.43) HTR1DPGRRORARORCRORB
SCHEMBL9968066 0.75 HTR1D (0.40) HTR1DPGRRORARORCRORB
SCHEMBL2604375 0.74 GPR3 (0.61) HTR1DPGRRORARORCRORB
SCHEMBL25490702 0.73 KIF11 (0.46) HTR1DPGRRORARORCRORB

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-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