SCHEMBL8484251

SCHEMBL8484251

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 6/20 0.41
NPY5R Q15761 6/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 3/20 0.41
SIRT5 Q9NXA8 1/20 0.41
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
TFPI P10646 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
REN P00797 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL9620200 0.94 HDAC4 (0.45) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL11225353 0.87 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL1925288 0.87 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL11132931 0.84 NPY4R (0.39) NPY4RNPY5RNPY1RNPY2RTFPI
Hydrochloric Acid SCHEMBL11482111 0.84 CA12 (0.45) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL9490193 0.82 SIRT2 (0.48) SIRT5HDAC1
SCHEMBL8341786 0.81 HDAC1 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL3396260 0.80 AAK1 (0.44) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL27439945 0.80 AAK1 (0.44) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL29405051 0.78 CA12 (0.49) NPY4RNPY5RNPY1RNPY2RSIRT5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554314-B1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS WIKSTROEM MAUDE BIRGITTA (SE) 1996-08-14 EP claimed
US-5981164-A RAPID AND SIMPLE DIAGNOSIS OF PERIODONTITIS BY REACTING SAMPLE WITH SUBSTRATE FOR TRYPSIN-LIKE AMIDASE, A MARKER SYSTEM, AND A MONO- OR DIPEPTIDE ENHANCER CONTAINING GLYCINE DERIVATIVE; ANALYZING MIXTURE FOR SIGNAL GENERATED BY MARKER WIKSTROEM MAUDE BIRGITTA (SE) 1999-11-09 US disclosed
EP-0554314-B1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS WIKSTROEM MAUDE BIRGITTA (SE) 1996-08-14 EP disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed