SCHEMBL8055907

SCHEMBL8055907

O=C(OC(=O)c1cc(Br)cc(Br)c1O)c1cc(C(=O)OC(=O)c2cc(Br)cc(Br)c2O)cc(-c2cc(C(=O)OC(=O)c3cc(Br)cc(Br)c3O)cc(C(=O)OC(=O)c3cc(Br)cc(Br)c3O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
AKR1C1 Q04828 3/20 0.51
AKR1C4 P17516 2/20 0.51
MEN1 O00255 4/20 0.42
HTT P42858 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP1A2 P05177 1/20 0.42
LCK P06239 1/20 0.42
CYP2C9 P11712 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK14 Q16539 1/20 0.42
HSPD1 P10809 2/20 0.41
HSPE1 P61604 2/20 0.41

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
SCHEMBL4398296 0.95 AKR1C4 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL29683626 0.95 AKR1C4 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL8057769 0.81 AKR1C4 (0.42) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL8055952 0.81 AKR1C4 (0.42) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL11119474 0.80 AKR1C4 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL11117678 0.77 HSPD1 (0.48) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL11117667 0.77 NPC1 (0.46) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL8372190 0.77 AKR1C4 (0.55) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL8372186 0.77 AKR1C4 (0.55) AKR1C3AKR1C2AKR1C1AKR1C4MEN1
SCHEMBL17627594 0.74 AKR1C4 (0.60) AKR1C3AKR1C2AKR1C1AKR1C4MEN1

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 6 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
US-5811521-A Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates KLUGER RONALD H (CA) 1998-09-22 US claimed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 EP claimed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 WO claimed
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 EP disclosed
US-5811521-A Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates KLUGER RONALD H (CA) 1998-09-22 US disclosed