SCHEMBL9066976

SCHEMBL9066976

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C(=C)C)cc3)c(CCCCCCCCCc3cc(OC(=O)c4ccc(OCCCCCCOC(=O)C(=C)C)cc4)ccc3OC(=O)c3ccc(OCCCCCCOC(=O)C(=C)C)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
HTT P42858 2/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9066426 1.00 POLB (0.59) POLBHTTAPEX1TDP1NPC1
SCHEMBL9066457 1.00 POLB (0.59) POLBHTTAPEX1TDP1NPC1
SCHEMBL9067998 1.00 POLB (0.59) POLBHTTAPEX1TDP1NPC1
SCHEMBL9066429 1.00 POLB (0.59) POLBHTTAPEX1TDP1NPC1
SCHEMBL11961790 0.91 POLB (0.54) POLBHTTAPEX1TDP1NPC1
SCHEMBL12975838 0.90 POLB (0.57) POLBHTTAPEX1TDP1NPC1
SCHEMBL12975835 0.90 POLB (0.57) POLBHTTAPEX1TDP1NPC1
SCHEMBL15398077 0.88 POLB (0.49) POLBHTTAPEX1TDP1NPC1
SCHEMBL11961787 0.88 POLB (0.50) POLBHTTAPEX1TDP1NPC1
SCHEMBL9453928 0.87 HTT (0.52) POLBHTTAPEX1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567349-A Photo cross-linkable liquid crystals HOFFMANN-LA ROCHE INC. (US) 1996-10-22 US disclosed