SCHEMBL6468997

SCHEMBL6468997

C=C(C)C(=O)OCCCCCCOC(=O)c1cc(OC(=O)c2ccc(OCCCCCCOC(=O)C(=C)C)cc2)ccc1OC(=O)c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 6/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6467307 0.99 POLB (0.52) POLBAPEX1HTTTDP1MAPT
SCHEMBL12567531 0.95 POLB (0.49) POLBAPEX1HTTTDP1MAPT
SCHEMBL14204968 0.92 POLB (0.45) POLBAPEX1HTTTDP1MAPT
SCHEMBL6727442 0.92 POLB (0.52) POLBAPEX1HTTTDP1MAPT
SCHEMBL14075891 0.91 POLB (0.44) POLBAPEX1HTTTDP1MAPT
SCHEMBL3792053 0.89 POLB (0.56) POLBAPEX1HTTTDP1MAPT
SCHEMBL6468969 0.89 POLB (0.56) POLBAPEX1HTTTDP1MAPT
SCHEMBL26418655 0.89 POLB (0.56) POLBAPEX1HTTTDP1MAPT
SCHEMBL3714963 0.89 POLB (0.55) POLBAPEX1HTTTDP1MAPT
SCHEMBL816232 0.88 POLB (0.64) POLBAPEX1HTTTDP1MAPT

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
US-20050040364-A1 Liquid crystalline laterally polymerizable compounds ROLIC AG (CH) 2005-02-24 US disclosed
EP-1432673-A1 LIQUID CRYSTALLINE \"LATERALLY POLYMERIZABLE\" COMPOUNDS Rolic AG (CH) 2004-06-30 EP disclosed
WO-2003027056-A1 LIQUID CRYSTALLINE 'LATERALLY POLYMERIZABLE' COMPOUNDS ROLIC AG (CH) 2003-04-03 WO disclosed
EP-1295863-A1 Liquid crystalline \"laterally polymerizable\" compounds Rolic AG (CH) 2003-03-26 EP disclosed