SCHEMBL6727751

SCHEMBL6727751

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN2 P17706 3/20 0.39
PTPN1 P18031 2/20 0.39
HTT P42858 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
THRB P10828 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL29459219 0.97 HDAC1 (0.42) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL4333267 0.97 MAPT (0.38) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL4335911 0.97 HDAC1 (0.42) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL496334 0.97 HDAC1 (0.42) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL25227956 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL25269639 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL30456612 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL25226273 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL30457662 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT
SCHEMBL30457539 0.95 HDAC1 (0.40) MAPTALDH1A1PTPN2PTPN1HTT

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-1154981-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2004-07-21 EP disclosed
US-6676851-B1 LOW MELTING, GOOD ALIGNMENT ARYL BRANCHED ETHER-ESTER LINKED DIACRYLATES; REMAIN STABLE DURING COATING AND CROSSLINKING ROLIC AG (CH) 2004-01-13 US disclosed
EP-1154981-A1 LIQUID CRYSTAL COMPOUNDS Rolic AG (CH) 2001-11-21 EP disclosed
WO-2000048985-A1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2000-08-24 WO disclosed