SCHEMBL8553981

SCHEMBL8553981

CCCCC1CC(C)[C@H](O)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
TPSAB1 Q15661 4/20 0.35
TPSD1 Q9BZJ3 4/20 0.35
TPSG1 Q9NRR2 4/20 0.35
KLK7 P49862 6/20 0.35
KLK5 Q9Y337 6/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ATM Q13315 2/20 0.33
NR1H2 P55055 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9093094 1.00 ELANE (0.36) ELANETPSAB1TPSD1TPSG1KLK7
SCHEMBL8593795 1.00 ELANE (0.36) ELANETPSAB1TPSD1TPSG1KLK7
SCHEMBL8550108 0.81 KLK7 (0.35) ELANETPSAB1TPSD1TPSG1KLK7
SCHEMBL27084526 0.72 KLK7 (0.36) ELANETPSAB1TPSD1TPSG1KLK7
SCHEMBL24874973 0.71 CHRM2 (0.36) ELANEKLK7KLK5PRSS1PRSS2
SCHEMBL9093415 0.71 CHRM2 (0.34) ELANECHRM2CHRM1CHRM3
SCHEMBL8594075 0.71 CHRM2 (0.34) ELANECHRM2CHRM1CHRM3
SCHEMBL8594078 0.71 CHRM2 (0.34) ELANECHRM2CHRM1CHRM3
SCHEMBL7063383 0.70 NR1H2 (0.43) TPSAB1TPSD1TPSG1KLK7CHRM2
SCHEMBL12531098 0.70 NR1H2 (0.43) TPSAB1TPSD1TPSG1KLK7CHRM2

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-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed