SCHEMBL6715191

SCHEMBL6715191

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C)CC(=O)NCCc3ccccn3)oc(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.56
CTRB1 P17538 3/20 0.56
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGFR P43088 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6638897 0.87 CTRB1 (0.54) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6635955 0.87 ELANE (0.56) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6636305 0.86 ELANE (0.56) ELANECTRB1PCSK9
SCHEMBL6640855 0.84 CTRB1 (0.57) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6637536 0.84 CTRB1 (0.50) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6636501 0.83 CTRB1 (0.58) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6638769 0.83 ELANE (0.55) ELANECTRB1KMT2APOLBPCSK9
SCHEMBL6717299 0.82 CTRB1 (0.54) ELANECTRB1ALDH1A1KMT2AHTT
SCHEMBL6635695 0.82 ELANE (0.53) ELANECTRB1ALDH1A1KMT2AMEN1
SCHEMBL6713458 0.81 ELANE (0.53) ELANECTRB1ALDH1A1KMT2AMEN1

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 1 patent. 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