Sugi Predict

Sugi Predict / Compounds / SCHEMBL7010774

SCHEMBL7010774

SCHEMBL7010774

CC(C)c1cc(OCCOCc2ccccc2)cc2c1C(=O)N(C(O)c1cc(=O)n3ccccc3n1)S2(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 16/20 0.52
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ METTL3 Q86U44 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7006064 0.83 ELANE (0.75) ELANETDP1
SCHEMBL7003649 0.74 ELANE (0.52) ELANE
SCHEMBL7010118 0.73 ELANE (0.72) ELANETDP1
SCHEMBL7388768 0.72 ELANE (0.51) ELANE
SCHEMBL7287616 0.68 ELANE (0.72) ELANE
SCHEMBL9149524 0.67 ELANE (0.51) ELANEKDM4E
SCHEMBL9407222 0.66 ELANE (0.54) ELANETDP1
SCHEMBL9149106 0.66 ELANE (0.82) ELANETDP1
SCHEMBL7281962 0.63 ELANE (0.50) ELANETDP1KDM4E
SCHEMBL7008337 0.62 ELANE (0.50) ELANE

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-0626378-B1 Saccharin derivative proteolytic enzyme inhibitors SANOFI SYNTHELABO (FR) 2003-01-22 — — EP claimed
EP-0626378-B1 Saccharin derivative proteolytic enzyme inhibitors SANOFI SYNTHELABO (FR) 2003-01-22 — — EP disclosed