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SCHEMBL824489

SCHEMBL824489

Cc1cc(OP(=O)(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(=O)(Oc4ccc(C(C)(C)C)cc4C(C)(C)C)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 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
SCHEMBL824488 0.91 CYP1A2 (0.35) CYP1A2CYP2C19RARARARBRARG
SCHEMBL30115188 0.91 CA1 (0.36) KDM4ECA1CA2CA9APEX1
SCHEMBL868584 0.91 CA1 (0.36) KDM4ECA1CA2CA9APEX1
SCHEMBL7645262 0.86 CA1 (0.33) CA1CA2CA9APEX1CYP1A2
SCHEMBL824472 0.86 CYP1A2 (0.40) KDM4ECYP1A2CYP2C19RARARARB
SCHEMBL18493502 0.86 CYP2C19 (0.40) CA1CA2CA9APEX1CYP1A2
SCHEMBL29150414 0.83 CA1 (0.36) CA1CA2CA9CYP1A2CYP2C19
SCHEMBL29268646 0.82 RXRA (0.38) CA1CA2CA9APEX1CYP1A2
SCHEMBL7641824 0.81 CA1 (0.31) CA1CA2CA9APEX1CYP1A2
SCHEMBL7644147 0.81 CYP1A2 (0.31) CYP1A2CYP2C19

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