SCHEMBL4335911

SCHEMBL4335911

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCCCCCCCCOc3ccc(-c4ccc(C#N)cc4)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MMP3 P08254 6/20 0.41
MMP2 P08253 6/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
HTT P42858 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
THRB P10828 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29459219 1.00 HDAC1 (0.42) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL496334 1.00 HDAC1 (0.42) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL30457662 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL30457539 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL30456612 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL25227956 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL25269639 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL25226273 0.97 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL4594806 0.97 HDAC1 (0.43) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL6727751 0.97 MAPT (0.40) HDAC1HDAC2MMP3MMP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169293-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2009-07-22 EP disclosed
US-6733690-B1 ACRYLIC ESTER POLYMERS ROLIC AG (CH) 2004-05-11 US disclosed