SCHEMBL6637280

SCHEMBL6637280

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)N(C)CCc3ccncc3)C3CCCCC3)oc(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.48
CTRB1 P17538 2/20 0.48
PTGES O14684 1/20 0.31
CYP17A1 P05093 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL6638226 0.93 CTRB1 (0.48) ELANECTRB1PTGES
SCHEMBL6636873 0.89 CTRB1 (0.49) ELANECTRB1
SCHEMBL6638457 0.87 ELANE (0.49) ELANECTRB1PTGESCYP17A1AAK1
SCHEMBL6637660 0.85 ELANE (0.58) ELANECTRB1CYP17A1
SCHEMBL6637057 0.85 ELANE (0.51) ELANECTRB1
SCHEMBL6640355 0.84 ELANE (0.53) ELANECTRB1CYP17A1
SCHEMBL6636428 0.83 ELANE (0.57) ELANECTRB1CYP17A1
SCHEMBL6636149 0.81 CTRB1 (0.53) ELANECTRB1CYP17A1
SCHEMBL6636735 0.81 CTRB1 (0.49) ELANECTRB1CYP17A1
SCHEMBL6637600 0.81 ELANE (0.57) ELANECTRB1CYP17A1

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