SCHEMBL6557541

SCHEMBL6557541

COC(=O)c1ccc(COC(=O)Nc2cccn(CC(=O)NC(Cc3ccccc3)C(O)C(F)(F)F)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.62
CTRC Q99895 4/20 0.47
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 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
SCHEMBL6557708 0.93 ELANE (0.59) ELANECTRC
SCHEMBL6558428 0.93 ELANE (0.68) ELANECTRCIL1RNERAP2ERAP1
SCHEMBL6556224 0.87 ELANE (0.69) ELANECTRC
SCHEMBL6557690 0.85 ELANE (0.63) ELANECTRC
SCHEMBL7282953 0.82 ELANE (0.73) ELANECTRCIL1RNERAP2ERAP1
SCHEMBL6556050 0.81 ELANE (0.66) ELANECTRC
SCHEMBL6556548 0.80 ELANE (0.61) ELANECTRCIL1RNERAP2ERAP1
SCHEMBL6558269 0.80 ELANE (0.51) ELANECTRC
SCHEMBL6558141 0.80 ELANE (0.69) ELANECTRC
SCHEMBL8401390 0.79 ELANE (0.70) ELANECTRC

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-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed