SCHEMBL6589323

SCHEMBL6589323

Cc1ccc(COC=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
AGTR1 P30556 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 1/20 0.36
KDM1A O60341 1/20 0.35
SRC P12931 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL95626 0.83 IDO1 (0.57) ALDH1A1NPSR1IDO1MAPTNPC1
SCHEMBL1828741 0.83 SRC (0.37) ALDH1A1MAPTSRCNPC1RAB9A
SCHEMBL2091678 0.79 ALDH1A1 (0.49) ALDH1A1NPSR1GAAMAPTCYP3A4
SCHEMBL27810116 0.79 SLC6A4 (0.41) IDO1KDM5AKDM5BHTR2ASLC6A4
SCHEMBL17321080 0.79 FFAR4 (0.42) KDM5AKDM5BSRCRXRARXRB
SCHEMBL7044076 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1GAAMAPTAGTR1
SCHEMBL13696431 0.77 IDO1 (0.44) ALDH1A1NPSR1IDO1GAAMAPT
SCHEMBL1455758 0.77 MAOB (0.43) ALDH1A1MAPTCYP3A4HPGDNPC1
SCHEMBL6589319 0.75 ALDH1A1 (0.40) ALDH1A1NPSR1IDO1GAAMAPT
SCHEMBL2091502 0.75 IDO1 (0.39) IDO1MAPTKDM5AKDM5BDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed