SCHEMBL5084760

SCHEMBL5084760

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
AR P10275 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5081110 0.90 CYP1A2 (0.47) KDM4ELMNASMN1; SMN2CYP1A2MAPT
SCHEMBL5080217 0.88 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL59992 0.88 HTT (0.52) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5084756 0.82 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL21081984 0.81 CYP1A2 (0.58) KDM4ELMNASMN1; SMN2CYP1A2
SCHEMBL9177632 0.80 MEN1 (0.49) KDM4ELMNASMN1; SMN2CYP1A2MAPT
SCHEMBL5664450 0.78 CYP1A2 (0.45) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL4625648 0.78 HTT (0.47) KDM4ELMNAHTTSMN1; SMN2CYP1A2
SCHEMBL1724938 0.78 LMNA (0.41) LMNAHTTSMN1; SMN2CYP1A2HIF1A
SCHEMBL10396173 0.78 MAPT (0.43) 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