SCHEMBL19759397

SCHEMBL19759397

C=CC(=O)OCOc1ccc(C#Cc2ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c2)cc1OCOC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 6/20 0.33
ALDH1A1 P00352 3/20 0.33
ACACB O00763 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
FDPS P14324 2/20 0.32
FFAR1 O14842 3/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL19759255 0.93 KDM4E (0.38) THRBTSHRALDH1A1ACACBKDM4E
SCHEMBL12242566 0.89 FFAR1 (0.39) THRBACACBPTGDR2FFAR1
SCHEMBL19759395 0.85 THRB (0.36) THRBACACBKDM4E
SCHEMBL12242483 0.83 FFAR1 (0.39) THRBALDH1A1ACACBKDM4EFDPS
SCHEMBL17370403 0.82 THRB (0.43) THRBTSHRALDH1A1ACACBPTGDR2
SCHEMBL12733803 0.81 THRB (0.50) THRBTSHRALDH1A1ACACBTP53
SCHEMBL19759258 0.80 KDM4E (0.34) THRBACACBKDM4E
SCHEMBL12242569 0.80 KMT2A (0.37) ALDH1A1KDM4EGAA
SCHEMBL19929427 0.80 THRB (0.36) THRBACACBFFAR1
SCHEMBL14282481 0.79 HAO1 (0.34) THRBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180112022-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC CORPORATION (JP) 2018-04-26 US disclosed
US-20180066189-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-03-08 US disclosed
US-20180031738-A1 RETARDATION PLATE AND CIRCULARLY POLARIZING PLATE DIC CORPORATION (JP) 2018-02-01 US disclosed
US-20180016502-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-01-18 US disclosed
US-20180002459-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-01-04 US disclosed