SCHEMBL8994359

SCHEMBL8994359

N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
F7 P08709 3/20 0.44
F10 P00742 3/20 0.44
F2 P00734 3/20 0.44
ITGB3 P05106 3/20 0.44
MDM4 O15151 2/20 0.44
ITGB1 P05556 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA5 P08648 2/20 0.44
MDM2 Q00987 2/20 0.44
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41

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
SCHEMBL10583019 0.92 HDAC1 (0.51) HDAC1F10HDAC3HDAC4HDAC7
SCHEMBL29458758 0.92 HDAC1 (0.51) HDAC1F10HDAC3HDAC4HDAC7
SCHEMBL676270 0.92 HDAC1 (0.51) HDAC1F10HDAC3HDAC4HDAC7
SCHEMBL676271 0.92 HDAC1 (0.51) HDAC1F10HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL10603655 0.91 HDAC1 (0.50) HDAC1F10HDAC3HDAC4HDAC7
SCHEMBL8341786 0.90 HDAC1 (0.43) HDAC1F7F10F2HDAC3
SCHEMBL10643639 0.89 QRFPR (0.43) HDAC1F7F10F2EPHX1
SCHEMBL8342382 0.86 MEN1 (0.43) HDAC1F7F10F2EPHX1
Hydrochloric Acid SCHEMBL28274785 0.85 MEN1 (0.43) HDAC1F7F10F2EPHX1
Hydrochloric Acid SCHEMBL28274778 0.85 MEN1 (0.43) HDAC1F7F10F2EPHX1

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 7 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
EP-0554314-B1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS WIKSTROEM MAUDE BIRGITTA (SE) 1996-08-14 EP disclosed
EP-0554314-A1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS. WIKSTROEM MAUDE BIRGITTA (SE) 1993-08-11 EP disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
WO-1992007086-A1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS WIKSTROEM MAUDE BIRGITTA (SE) 1992-04-30 WO disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed