SCHEMBL17773282

SCHEMBL17773282

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)C(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL22215976 1.00 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22215969 0.88 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16159994 0.86 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8150152 0.82 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16160000 0.82 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9806275 0.82 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5360846 0.82 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4981730 0.82 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17522101 0.82 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29691692 0.82 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223966-A1 CURABLE COMPOSITION, FILM, CURED PRODUCT, AND MEDICAL MEMBER FUJIFILM CORPORATION (JP) 2020-07-16 US disclosed
US-20160145492-A1 VERTICAL ALIGNMENT LIQUID CRYSTAL DISPLAY AND MANUFACTURE METHOD THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-05-26 US disclosed
US-20160145492-A1 VERTICAL ALIGNMENT LIQUID CRYSTAL DISPLAY AND MANUFACTURE METHOD THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-05-26 US disclosed