SCHEMBL8583189

SCHEMBL8583189

O=C(Oc1ccccc1)C(F)(F)C(=O)C(F)(F)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NSD2 O96028 1/20 0.39
CES1 P23141 1/20 0.39
NR4A2 P43354 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL29287791 0.84 ELANE (0.42) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL1255890 0.83 ELANE (0.47) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL544447 0.81 MAOB (0.49) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL10946374 0.81 ELANE (0.46) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL8587544 0.80 ELANE (0.42) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL10187806 0.79 ELANE (0.44) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL10973078 0.79 ELANE (0.53) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL28089181 0.79 ELANE (0.44) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL21235982 0.79 ELANE (0.53) ELANEMAOBALDH1A1ATML3MBTL1
SCHEMBL31257827 0.79 ELANE (0.44) ELANEMAOBALDH1A1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP disclosed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO disclosed