SCHEMBL13664636

SCHEMBL13664636

C=C(C)C(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 5/20 0.48
ELANE P08246 1/20 0.47
PRSS1 P07477 2/20 0.42
ACR P10323 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
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
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL11986102 0.98 POLB (0.52) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12242713 0.98 POLB (0.52) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12733727 0.96 ELANE (0.52) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12242656 0.94 TDP1 (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL19757164 0.94 POLB (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12242788 0.94 TDP1 (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12242616 0.94 TDP1 (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL19757162 0.94 POLB (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12172627 0.93 MAPT (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL13289773 0.93 POLB (0.48) POLBAPEX1HTTTDP1KMT2A

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-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed