SCHEMBL4438511

SCHEMBL4438511

Cc1c2ccc(c1O)C(=O)OCCOC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 7/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
PSMB5 P28074 1/20 0.35
NUAK1 O60285 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
SRC P12931 1/20 0.35
AXL P30530 1/20 0.35
AKT1 P31749 1/20 0.35
KDR P35968 1/20 0.35
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
PTK2 Q05397 1/20 0.35
PKN1 Q16512 1/20 0.35
AURKB Q96GD4 1/20 0.35
NEK6 Q9HC98 1/20 0.35
ALK Q9UM73 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL31018377 0.85 PSMB5 (0.41) KCNJ1MAOAMAOBPSMB5KDM4E
SCHEMBL1366417 0.85 PSMB5 (0.41) KCNJ1MAOAMAOBPSMB5KDM4E
SCHEMBL18860161 0.77 PSMB5 (0.38) KCNJ1MAOAMAOBPSMB5KDM4E
SCHEMBL1401927 0.77 PSMB5 (0.38) KCNJ1MAOAMAOBPSMB5KDM4E
SCHEMBL1401912 0.75 MAOA (0.39) MAOAMAOBPSMB5ALDH1A1LMNA
SCHEMBL1401923 0.74 MAOA (0.49) MAOAMAOBPSMB5KDRAURKB
SCHEMBL12544787 0.72 MAPT (0.48) MAOAMAOBPSMB5AXLKDM4E
SCHEMBL17504255 0.69 PSMB5 (0.36) KCNJ1MAOAMAOBPSMB5KDM4E
SCHEMBL2452636 0.69 MAOA (0.44) MAOAMAOBKDM4EALDH1A1LMNA
SCHEMBL1401921 0.68 MAOA (0.46) MAOAMAOBPSMB5KDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4294859-B2 2009-07-15 JP claimed
JP-2002514661-A 2002-05-21 JP claimed
EP-1023369-A1 DEPOLYMERIZATION PROCESS FOR RECYCLING POLYESTERS EASTMAN CHEMICAL COMPANY (US) 2000-08-02 EP claimed
WO-1999020684-A1 DEPOLYMERIZATION PROCESS FOR RECYCLING POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-04-29 WO claimed