SCHEMBL8397333

SCHEMBL8397333

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RECQL P46063 2/20 0.46
NOS2 P35228 2/20 0.46
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.43
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 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
SCHEMBL8397348 0.94 ALDH1A1 (0.46) ALDH1A1RECQLNOS2PKMKDM4E
SCHEMBL16094114 0.92 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401132 0.88 ALDH1A1 (0.48) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397322 0.86 ALDH1A1 (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401123 0.86 RECQL (0.46) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8401124 0.86 ALDH1A1 (0.49) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397355 0.84 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8397361 0.84 ALDH1A1 (0.44) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL16122352 0.83 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL8936752 0.83 NOS2 (0.48) ALDH1A1RECQLNOS2KDM4EMAPT

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-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
US-5708030-A COGNITION ACTIVATORS, PERINATAL BRAIN DISORDERS UNIVERSITY OF MARYLAND (US) 1998-01-13 US disclosed
US-5519055-A ENZYME INHIBITORS UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1996-05-21 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