SCHEMBL8397361

SCHEMBL8397361

CCOC(=O)C(CC(=O)c1cc(C(C)C)ccc1N)(NC(C)=O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.42
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
FADS1 O60427 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL8401124 0.86 ALDH1A1 (0.49) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401132 0.86 ALDH1A1 (0.48) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401123 0.84 RECQL (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397322 0.84 ALDH1A1 (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397333 0.84 ALDH1A1 (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397355 0.82 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL16122352 0.81 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397348 0.79 ALDH1A1 (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401125 0.79 ALDH1A1 (0.43) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL16094114 0.78 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663899-B1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIV MARYLAND (US) 1999-06-30 EP disclosed
EP-0919538-A1 Substituted kynurenines, a process for their preparation, and use as medicaments THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1999-06-02 EP disclosed
US-5786508-A ENZYME INHIBITOR; COGNITION ACTIVATOR PHARMACIA & UPJOHN S.P.A. (IT) 1998-07-28 US disclosed
EP-0663899-A4 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS. UNIV MARYLAND (US) 1996-01-17 EP disclosed
EP-0663899-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-07-26 EP disclosed
WO-1995004714-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-02-16 WO disclosed