SCHEMBL9905095

SCHEMBL9905095

O=C(O)COc1cc(I)c(OCC(=O)O)cc1I

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
PTGDR2 Q9Y5Y4 8/20 0.49
TDP1 Q9NUW8 4/20 0.48
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.47
ALOX15 P16050 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL1369720 0.83 PTGDR2 (0.64) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL5833932 0.82 TDP1 (0.50) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL22861308 0.80 TDP1 (0.35) PKMPTGDR2TDP1MAPTTSHR
SCHEMBL1332580 0.79 TDP1 (0.70) PTGDR2TDP1MAPTTSHR
SCHEMBL1028925 0.79 PTGDR2 (0.60) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL3715198 0.77 L3MBTL1 (0.61) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL4977225 0.77 PTGDR2 (0.54) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL10228587 0.77 PTGDR2 (0.51) PKMPTGDR2TDP1POLBL3MBTL1
SCHEMBL3194886 0.77 KDM4E (0.44) PTGDR2TDP1POLBL3MBTL1SMN1; SMN2
SCHEMBL5280821 0.75 PTGDR2 (0.63) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210003506-A1 FLUORESCENCE SPECTRAL SHAPE ANALYSIS FOR ANALYTE RECOGNITION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-07 US disclosed
WO-2012079085-A2 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR CONJUGATED POLYAMPHOLYTES STC.UNM (US) 2012-06-14 WO disclosed