SCHEMBL9812784

SCHEMBL9812784

CC[Zn].O=c1ccoc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
FTO Q9C0B1 1/20 0.32
APP P05067 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2A6 P11509 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9812791 0.91 KDM4E (0.39) KDM4EMAPK1LMNAFTOAPP
SCHEMBL10808734 0.90 KDM4E (0.35) KDM4EMAPK1LMNAFTO
SCHEMBL1187892 0.89
SCHEMBL5573647 0.87 KDM4E (0.39) KDM4EMAPK1LMNAFTOAPP
SCHEMBL10810437 0.87 KDM4E (0.39) KDM4EMAPK1LMNAFTOAPP
SCHEMBL7796741 0.87
SCHEMBL9812785 0.87
SCHEMBL2116944 0.70
SCHEMBL10874735 0.66 TRPA1 (0.33)
SCHEMBL2405291 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263138-B1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-12 EP claimed
EP-0263138-A1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE. NAT RES DEV (GB) 1988-04-13 EP claimed
WO-1987005509-A1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-09-24 WO claimed
US-4665064-A IN BLOOD; ZINC CHELATE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-05-12 US claimed
EP-0263138-B1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-12 EP disclosed
US-4866052-A TREATING BLOOD WITH ZINC HYDROXY YRONE COMPLETE ENHANCES OXYGE N BINDING AFFINITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-09-12 US disclosed
EP-0263138-A1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE. NAT RES DEV (GB) 1988-04-13 EP disclosed
WO-1987005509-A1 IMPROVEMENTS IN OR RELATING TO THE TREATMENT OF SICKLE CELL DISEASE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-09-24 WO disclosed