SCHEMBL5080217

SCHEMBL5080217

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
AR P10275 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL5084710 0.90 SMN1; SMN2 (0.48) KDM4ELMNASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL5084760 0.88 KDM4E (0.41) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL30864160 0.88 KMT2A (0.53) KDM4ELMNASMN1; SMN2HTTHIF1A
SCHEMBL11967037 0.87 HTT (0.53) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL14173204 0.87 HTT (0.53) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL195095 0.87 HTT (0.53) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL5084756 0.85 KDM4E (0.42) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL15803538 0.84 HTT (0.50) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL12196922 0.84 HTT (0.50) KDM4ELMNASMN1; SMN2CYP1A2HTT
SCHEMBL14173200 0.83 HTT (0.47) KDM4ELMNASMN1; SMN2CYP1A2HTT

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