SCHEMBL8055911

SCHEMBL8055911

CC(C)(C)OC(=O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.44
CYP3A4 P08684 2/20 0.43

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
SCHEMBL31668173 1.00 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
Potassium SCHEMBL8375396 0.98 AKR1C4 (0.53) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL8375392 0.98 AKR1C4 (0.53) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL17627594 0.80 AKR1C4 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL13171452 0.77 CA12 (0.39) MEN1HTTKMT2AEGFRLCK
SCHEMBL3842336 0.77 L3MBTL1 (0.41) MEN1HTTKMT2AALDH1A1MAPK1
SCHEMBL7860222 0.77 PTPN2 (0.50) KDM4EMEN1HTTKMT2AALDH1A1
SCHEMBL26477685 0.76 AKR1C4 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL20140708 0.76 LCK (0.38) KDM4EMAPTEGFRLCKCYP2C9
SCHEMBL8143660 0.76 HPGD (0.56) KDM4EMEN1HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127977-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, COMPOUND, AND ACID DIFFUSION CONTROL AGENT 東京応化工業株式会社 2024-06-20 WO disclosed
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 EP disclosed
US-5998361-A Polymerized hemoglobin UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1999-12-07 US disclosed
US-5917020-A CROSSLINKING REAGENT FOR PROTEIN MODIFICATION KLUGER RONALD H (CA) 1999-06-29 US disclosed
EP-0669940-B1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY UNIV TORONTO (CA) 1999-02-10 EP disclosed
US-5811521-A Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates KLUGER RONALD H (CA) 1998-09-22 US 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
EP-0669940-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1995-09-06 EP disclosed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 US disclosed
US-5387672-A For use in oxygen-transporting fluids THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-02-07 US disclosed
WO-1994011399-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY KLUGER RONALD (CA) 1994-05-26 WO disclosed
US-5290919-A Physiological oxygen carrier, artificial blood THE UNIVERSITY OF MARYLAND BALTIMORE (US) 1994-03-01 US disclosed