SCHEMBL8380501

SCHEMBL8380501

O=C(O)c1ccc2c(I)c(C(=O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
GRIN2D O15399 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2C Q14957 1/20 0.50
ACE2 Q9BYF1 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.42
TPMT P51580 2/20 0.41
MYC P01106 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
ENPP2 Q13822 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL11678385 0.87 GRIN2D (0.51) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL5485553 0.82 KDM4E (0.52) PTPN1GRIN2DGRIN2AGRIN2CKDM4E
SCHEMBL7088722 0.80 PTPN1 (0.64) PTPN1GRIN2DGRIN2AGRIN2CKDM4E
SCHEMBL812629 0.80 PTPN1 (0.61) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL30879496 0.80 PTPN1 (0.61) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL3237472 0.80 PTPN1 (0.61) PTPN1GRIN2DGRIN2AGRIN2CACE2
Hydrochloric Acid SCHEMBL10826707 0.79 PTPN1 (0.59) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL2749203 0.79 PTPN1 (0.59) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL5800894 0.79 PTPN1 (0.59) PTPN1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL945628 0.79 PTPN1 (0.59) PTPN1GRIN2DGRIN2AGRIN2CACE2

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
EP-0713502-B1 NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER/HALOGEN COMPOUND COMPOSITIONS HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1999-04-07 EP claimed
CN-1209150-A Polyester blend compositions containing naphthalene dicarboxylate having reduced fluorescence EASTMAN CHEM CO (US) 1999-02-24 CN disclosed