SCHEMBL5084116

SCHEMBL5084116

C=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C=C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
HTT P42858 2/20 0.48
HIF1A Q16665 1/20 0.48
AR P10275 2/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
PLA2G4B P0C869 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14173204 0.94 HTT (0.53) THRBHTTHIF1AARALDH1A1
SCHEMBL11967037 0.94 HTT (0.53) THRBHTTHIF1AARALDH1A1
SCHEMBL195095 0.94 HTT (0.53) THRBHTTHIF1AARALDH1A1
SCHEMBL25500275 0.93 HIF1A (0.46) THRBHTTHIF1AARALDH1A1
SCHEMBL22754450 0.93 HTT (0.46) THRBHTTHIF1AARALDH1A1
SCHEMBL5078308 0.92 THRB (0.50) THRBHTTHIF1AARALDH1A1
SCHEMBL5081753 0.92 THRB (0.50) THRBHTTHIF1AARALDH1A1
SCHEMBL14588120 0.92 HTT (0.49) THRBHTTHIF1AARALDH1A1
SCHEMBL11224844 0.91 MEN1 (0.47) THRBHTTHIF1AARALDH1A1
SCHEMBL12196922 0.90 HTT (0.50) THRBHTTHIF1AARALDH1A1

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
EP-1548039-B1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF MITSUI CHEMICALS INC (JP) 2008-08-13 EP disclosed
US-7307107-B2 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2007-12-11 US disclosed
US-20060003261-A1 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2006-01-05 US disclosed
EP-1548039-A1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2005-06-29 EP disclosed