SCHEMBL8764974

SCHEMBL8764974

O=C(O)c1ccc2ccc(C(=O)Oc3c(C(=O)O)ccc4cc(C(=O)O)ccc34)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
ACE2 Q9BYF1 2/20 0.42
KDM4E B2RXH2 4/20 0.41
LCK P06239 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2C Q14957 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PTPN11 Q06124 2/20 0.35
MYC P01106 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11801334 0.87 PTPN1 (0.50) PTPN1ACE2KDM4ELCKGRIN2D
SCHEMBL28518059 0.84 PTPN1 (0.51) PTPN1ACE2KDM4EMAPTTDP1
SCHEMBL18545875 0.76 KDM4E (0.55) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL22832273 0.73 KDM4E (0.53) PTPN1KDM4EMEN1MAPTKMT2A
SCHEMBL10630715 0.73 TP53 (0.51) PTPN1PTPN11PLA2G2DTSHR
SCHEMBL7088722 0.73 PTPN1 (0.64) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL29406959 0.73 KDM4E (0.59) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL28025 0.73 KDM4E (0.59) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL812629 0.73 PTPN1 (0.61) PTPN1ACE2KDM4ELCKGRIN2D
SCHEMBL14167531 0.73 PTPN1 (0.61) PTPN1ACE2KDM4EGRIN2DGRIN2A

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
EP-0691994-B1 WATER-DISPERSIBLE SULFO-POLYESTER COMPOSITIONS HAVING A Tg OF GREATER THAN 89 oC EASTMAN CHEM CO (US) 1997-07-30 EP disclosed