SCHEMBL824472

SCHEMBL824472

Cc1cc(OP(=O)(Oc2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL824488 0.94 CYP1A2 (0.35) CYP1A2CYP2C19RARARARBRARG
SCHEMBL824489 0.86 KDM4E (0.32) CYP1A2CYP2C19RARARARBRARG
SCHEMBL7644147 0.85 CYP1A2 (0.31) CYP1A2CYP2C19
SCHEMBL18493502 0.81 CYP2C19 (0.40) CYP1A2CYP2C19TDP1L3MBTL1MEN1
SCHEMBL7643332 0.81
SCHEMBL7643560 0.80
SCHEMBL31177140 0.77 PGK1 (0.33) PGK1PGK2
SCHEMBL7640652 0.77 CYP2C19 (0.37) CYP1A2CYP2C19TDP1L3MBTL1MEN1
SCHEMBL30115188 0.74 CA1 (0.36) CYP1A2CYP2C19RARARARBRARG
SCHEMBL29150414 0.74 CA1 (0.36) CYP1A2CYP2C19TDP1RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed