SCHEMBL4041663

SCHEMBL4041663

CCCC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.35
PAX8 Q06710 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
ACACB O00763 1/20 0.32
GPR132 Q9UNW8 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP4 Q9UKK3 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
IDH1 O75874 2/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
FPR1 P21462 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4044450 0.92 CTSK (0.43) CTSKPAX8CTSLCTSS
SCHEMBL4040981 0.88 CTSK (0.35) CTSKPAX8PREPFAPACACB
SCHEMBL4046786 0.87 CHRNB2 (0.36) CTSKPAX8PREPFAPGPR132
SCHEMBL4051063 0.87 SMYD3 (0.36) CTSKPREPFAPTSHRCTSL
SCHEMBL4046060 0.86 CTSK (0.35) CTSKPAX8PREPFAPACACB
SCHEMBL4047771 0.86 CTSK (0.39) CTSKACACBGPR132
SCHEMBL4047976 0.85 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4045728 0.85 CTSK (0.35) CTSKPAX8PREPFAPACACB
SCHEMBL4043031 0.85 HTRA1 (0.37) CTSKPAX8ACACBGPR132
SCHEMBL4046913 0.84 HSD17B10 (0.38) CTSKPREPFAPLMNATSHR

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