SCHEMBL7537131

SCHEMBL7537131

C=C(C)C(=O)OCCOC(=O)C(C)=CCCOCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 2/20 0.47
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL152506 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL437611 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL1524269 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL1524479 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL1524744 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL1524320 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL1173746 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL910146 0.88 POLB (0.57) POLBAPEX1HTTTDP1THRB
SCHEMBL29723033 0.88 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL21644451 0.86 POLB (0.48) POLBAPEX1HTTTDP1THRB

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-20020037984-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-03-28 US disclosed