SCHEMBL6556041

SCHEMBL6556041

CCOC(C(=O)O)C(CC)c1ccc(OCc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6556146 0.86 ALDH1A1 (0.49) MAPTTSHRL3MBTL1KDM4EALOX15
SCHEMBL6555815 0.83 PPARG (0.44) MAPTTSHRL3MBTL1KDM4EALOX15
SCHEMBL6555567 0.83 PPARA (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6555852 0.80 UBE2N (0.48) MAPTTSHRKDM4ENPC1GAA
SCHEMBL6556037 0.80 PPARA (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6556035 0.78 KDM4E (0.53) TSHRL3MBTL1KDM4EALOX15TDP1
SCHEMBL6556046 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3956812 0.71 PPARA (0.45) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL6555825 0.70 PPARA (0.61) TSHRL3MBTL1KDM4EALOX15TDP1
SCHEMBL6076735 0.70 PGR (0.54) PDE4AL3MBTL1KDM4EFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP claimed