SCHEMBL5084756

SCHEMBL5084756

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccccc2OCC(O)COC(=O)C(=C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
AR P10275 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 1/20 0.38
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL29376964 0.90 CYP1A2 (0.48) KDM4ELMNASMN1; SMN2CYP1A2MAPT
SCHEMBL1109621 0.90 CYP1A2 (0.48) KDM4ELMNASMN1; SMN2CYP1A2MAPT
SCHEMBL3774134 0.88 KMT2A (0.53) KDM4ELMNAHTTSMN1; SMN2HIF1A
SCHEMBL14173202 0.87 HTT (0.53) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL22020008 0.87 HTT (0.53) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL15349 0.87 HTT (0.53) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL20610370 0.87 HTT (0.53) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL11967041 0.87 HTT (0.53) KDM4ELMNAHTTSMN1; SMN2CYP1A2
Bicarbonate SCHEMBL7732697 0.85 HTT (0.51) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5080217 0.85 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2CYP1A2

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