SCHEMBL5313764

SCHEMBL5313764

CCCCNCC(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.41
EPHX1 P07099 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
PAOX Q6QHF9 1/20 0.38

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
SCHEMBL18878692 0.93 GAA (0.52) GAATSHRHDAC1HDAC2DPP4
SCHEMBL8183109 0.91 S1PR2 (0.50) GAATSHRHDAC1HDAC2EPHX1
SCHEMBL12826247 0.86
SCHEMBL1703889 0.85 GAA (0.45) GAAHDAC1HDAC2KMT2AALOX15
SCHEMBL11617345 0.82 KDM4E (0.41) GAAHDAC1HDAC2MEN1KMT2A
SCHEMBL27368808 0.82 GAA (0.40) GAAMEN1KMT2AEPHX1S1PR2
SCHEMBL29460411 0.80 MCL1 (0.39) GAAALDH1A1
SCHEMBL24240988 0.80 HDAC1 (0.44) GAATSHRHDAC1HDAC2MEN1
SCHEMBL28528638 0.80 GAA (0.56) GAATSHRHDAC1HDAC2MEN1
SCHEMBL28007107 0.80 GAA (0.56) GAATSHRHDAC1HDAC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
WO-2007048557-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-05-03 WO disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
EP-1005449-A1 3-ARYL-SUCCINAMIDO-HYDROXAMIC ACIDS, METHODS FOR PRODUCING SAID ACIDS AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 2000-06-07 EP disclosed
WO-1999009003-A1 3-ARYL-SUCCINAMIDO-HYDROXAMIC ACIDS, METHODS FOR PRODUCING SAID ACIDS AND MEDICAMENTS CONTAINING THE SAME ROCHE DIAGNOSTICS GMBH (DE) 1999-02-25 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed