SCHEMBL8055949

SCHEMBL8055949

O=C(OCc1cc(Br)cc(Br)c1O)c1cc(OCCOCCOCCOc2cc(C(=O)OCc3cc(Br)cc(Br)c3O)cc(C(=O)OCc3cc(Br)cc(Br)c3O)c2)cc(C(=O)OCc2cc(Br)cc(Br)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.41
ESR1 P03372 2/20 0.40
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN11 Q06124 1/20 0.39
TTR P02766 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8060260 0.90 ESR1 (0.40) SERPINE1ESR1PTPN1PTPN2PTPN11
SCHEMBL8057763 0.86 ESR1 (0.38) ESR1PTPN1PTPN2PTPN11TTR
SCHEMBL8532176 0.81 ESR1 (0.42) SERPINE1ESR1PTPN1PTPN2PTPN11
SCHEMBL31668175 0.80 TTR (0.48) ESR1PTPN1PTPN2PTPN11TTR
SCHEMBL31668196 0.79 TTR (0.51) ESR1TTRLMNAL3MBTL1KDM4E
SCHEMBL8055952 0.79 AKR1C4 (0.42) SERPINE1ESR1PTPN1PTPN2PTPN11
SCHEMBL31668207 0.74 TTR (0.50) TTRLMNAKDM4EKMT2AAKR1C4
SCHEMBL22868140 0.74 L3MBTL1 (0.48) SERPINE1ESR1LMNAL3MBTL1KMT2A
SCHEMBL6053862 0.70 CYP3A4 (0.43) TTRLMNAKMT2AAKR1C4AKR1C3
SCHEMBL1122760 0.69 HCAR2 (0.43) TTRLMNAKMT2AAKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 EP claimed
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 EP disclosed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 EP disclosed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 WO disclosed