SCHEMBL14282672

SCHEMBL14282672

C=CC(=O)OCCCOc1ccc(OC/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/COc5ccc(OCCCOC(=O)C=C)cc5)c(OC(=O)/C=C/COc5ccc(OCCCOC(=O)C=C)cc5)cc4c4cc(OC(=O)/C=C/COc5ccc(OCCCOC(=O)C=C)cc5)c(OC(=O)/C=C/COc5ccc(OCCCOC(=O)C=C)cc5)cc4c3cc2OC(=O)/C=C/COc2ccc(OCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.46
▸ TSHR P16473 5/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 1/20 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
SCHEMBL14282673 0.98 THRB (0.46) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14282669 0.94 THRB (0.53) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14282676 0.88 THRB (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14282674 0.86 ALDH1A1 (0.51) THRBHPGDALDH1A1L3MBTL1HTT
SCHEMBL14282668 0.84 TP53 (0.41) TSHRTP53HIF1A
SCHEMBL14282682 0.82 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14282665 0.81 PLK1 (0.44) ALDH1A1L3MBTL1HTT
SCHEMBL14282667 0.81 TP53 (0.48) TSHRTP53
SCHEMBL14415079 0.80 THRB (0.42) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL710505 0.79 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4

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-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
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