SCHEMBL901768

SCHEMBL901768

O=C(O)COc1cccc2c(CCC(=O)ONC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PTGIR P43119 10/20 0.42
TBXA2R P21731 7/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ABCB1 P08183 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL693383 0.84 TDP1 (0.49) TDP1KDM4EALDH1A1HPGDPTGIR
SCHEMBL8418748 0.78 KMT2A (0.53) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL8417285 0.78 KMT2A (0.53) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL8202557 0.77 SLC6A9 (0.48) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL8202181 0.77 TSHR (0.48) TDP1KDM4EMAPTPOLB
SCHEMBL8420212 0.77 ALDH1A1 (0.51) TDP1KDM4EALDH1A1HPGDPTGIR
SCHEMBL8202190 0.77 MAPK1 (0.43) TDP1KDM4EALDH1A1HPGDPTGIR
SCHEMBL8206250 0.76 MAPT (0.47) TDP1KDM4EALDH1A1HPGDMAPT
SCHEMBL8202179 0.75 MTNR1A (0.54) TDP1KDM4EALDH1A1HPGDPTGIR
SCHEMBL8624608 0.75 KDM4E (0.46) TDP1KDM4EALDH1A1HPGDPTGIR

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-2834642-A1 COMPOUNDS CAPABLE OF MODULATING/PRESERVING ENDOTHELIAL INTEGRITY FOR USE IN PREVENTION OR TREATMENT OF ACUTE TRAUMATIC COAGULOPATHY AND RESUSCITATED CARDIAC ARREST Rigshospitalet (DK) 2015-02-11 EP claimed
WO-2013143548-A1 COMPOUNDS CAPABLE OF MODULATING/PRESERVING ENDOTHELIAL INTEGRITY FOR USE IN PREVENTION OR TREATMENT OF ACUTE TRAUMATIC COAGULOPATHY AND RESUSCITATED CARDIAC ARREST RIGSHOSPITALET (DK) 2013-10-03 WO claimed
EP-2622354-A1 COMPOUNDS CAPABLE OF MODULATING/PRESERVING ENDOTHELIAL INTEGRITY FOR USE IN PREVENTION OR TREATMENT OF ACUTE TRAUMATIC COAGULOPATHY AND RESUSCITATED CARDIAC ARREST Rigshospitalet (DK) 2013-08-07 EP claimed
EP-2563369-A2 METHODS OF TREATMENT OF PATIENTS AT INCREASED RISK OF DEVELOPMENT OF ISCHEMIC EVENTS AND COMPOUNDS HEREOF Thrombologic APS (DK) 2013-03-06 EP claimed
WO-2012041334-A1 COMPOUNDS CAPABLE OF MODULATING/PRESERVING ENDOTHELIAL INTEGRITY FOR USE IN PREVENTION OR TREATMENT OF ACUTE TRAUMATIC COAGULOPATHY AND RESUSCITATED CARDIAC ARREST RIGSHOSPITALET (DK) 2012-04-05 WO claimed
WO-2011134478-A2 METHODS OF TREATMENT OF PATIENTS AT INCREASED RISK OF DEVELOPMENT OF ISCHEMIC EVENTS AND COMPOUNDS HEREOF THROMBOLOGIC APS (DK) 2011-11-03 WO claimed
EP-2563369-A2 METHODS OF TREATMENT OF PATIENTS AT INCREASED RISK OF DEVELOPMENT OF ISCHEMIC EVENTS AND COMPOUNDS HEREOF Thrombologic APS (DK) 2013-03-06 EP disclosed
WO-2011134478-A2 METHODS OF TREATMENT OF PATIENTS AT INCREASED RISK OF DEVELOPMENT OF ISCHEMIC EVENTS AND COMPOUNDS HEREOF THROMBOLOGIC APS (DK) 2011-11-03 WO disclosed