SCHEMBL17064930

SCHEMBL17064930

CC(C)(C)[S+]([O-])NC(CCC1CC1)c1ccc(F)c(NC(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
KLKB1 P03952 11/20 0.36
USP30 Q70CQ3 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 2/20 0.34
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 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
SCHEMBL20446578 0.91 KLKB1 (0.35) KLKB1USP30
SCHEMBL18605032 0.91 KLKB1 (0.35) KLKB1USP30
SCHEMBL21726625 0.91 KLKB1 (0.35) KLKB1USP30
SCHEMBL31067442 0.80
SCHEMBL20584679 0.80
SCHEMBL17064413 0.80
SCHEMBL20584678 0.80
SCHEMBL31456852 0.80
SCHEMBL20584680 0.80
SCHEMBL17064972 0.79 GLA (0.41) GLAKLKB1USP30SMN1; SMN2

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-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed