SCHEMBL4051394

SCHEMBL4051394

CCCC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
PREP P48147 3/20 0.32
FAP Q12884 2/20 0.32
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 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
SCHEMBL4047069 0.92 CTSK (0.42) CTSKPREPFAPELANE
SCHEMBL4046913 0.90 HSD17B10 (0.38) CTSKPREPFAPKDM4E
SCHEMBL4051473 0.88 CTSK (0.34) CTSKPREPFAPELANE
SCHEMBL4051063 0.88 SMYD3 (0.36) CTSKPREPFAP
SCHEMBL4046940 0.88 KDM4E (0.35) CTSKPREPFAPKDM4E
SCHEMBL4050322 0.87 CTSK (0.34) CTSKPREPFAPELANEKMT2A
SCHEMBL4042961 0.87 CTSK (0.36) CTSKPREPFAP
SCHEMBL4043596 0.87 ELANE (0.38) CTSKPREPFAPELANE
SCHEMBL4051965 0.86 MC4R (0.38) CTSKELANEKDM4E
SCHEMBL4045553 0.86 CTSK (0.34) CTSKPREPFAPELANE

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed