SCHEMBL6583798

SCHEMBL6583798

CCOc1cc(CCC2NC(=O)OC2=O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 1/20 0.37
AR P10275 1/20 0.37
THRB P10828 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
STK17B O94768 2/20 0.37

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
SCHEMBL8889117 0.93 GAA (0.42) GAAALDH1A1KDM4ETSHRPIM1
SCHEMBL6581895 0.88 TAAR1 (0.50) GAAALDH1A1TSHRTDP1
SCHEMBL6583689 0.81 SIRT2 (0.45) GAAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6583033 0.81 MTNR1A (0.48) GAAALDH1A1TSHRTDP1
SCHEMBL6584139 0.81 CYP3A4 (0.49) GAATSHRKMT2AMAPTMEN1
SCHEMBL6581977 0.80 MTNR1A (0.47) GAAALDH1A1TSHRTDP1
SCHEMBL6583789 0.76 GAA (0.46) GAAALDH1A1KDM4ETSHRPIM1
SCHEMBL8888947 0.75 ESR1 (0.41) GAAALDH1A1KDM4EKMT2ATDP1
SCHEMBL8889642 0.74 APP (0.44) GAAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6583549 0.73 SIRT2 (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed