SCHEMBL6640355

SCHEMBL6640355

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C)CC(=O)N(C)CCc3ccncc3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
CTRB1 P17538 4/20 0.53
CYP17A1 P05093 2/20 0.33
PCSK9 Q8NBP7 1/20 0.31
LCK P06239 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
SCHEMBL6637344 0.93 ELANE (0.51) ELANECTRB1CYP17A1
SCHEMBL6641671 0.92 ELANE (0.52) ELANECTRB1PCSK9
SCHEMBL6638897 0.88 CTRB1 (0.54) ELANECTRB1
SCHEMBL6637660 0.85 ELANE (0.58) ELANECTRB1CYP17A1
SCHEMBL6638769 0.85 ELANE (0.55) ELANECTRB1CYP17A1PCSK9
SCHEMBL6636762 0.85 ELANE (0.51) ELANECTRB1
SCHEMBL6636149 0.84 CTRB1 (0.53) ELANECTRB1CYP17A1LCK
SCHEMBL6637280 0.84 ELANE (0.48) ELANECTRB1CYP17A1
SCHEMBL6636305 0.83 ELANE (0.56) ELANECTRB1PCSK9
SCHEMBL6636428 0.83 ELANE (0.57) ELANECTRB1CYP17A1LCK

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
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed