SCHEMBL6556046

SCHEMBL6556046

CCC(C)OC(Cc1ccc(OCc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1)C(=O)O

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
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6555567 0.88 PPARA (0.60) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6556149 0.87 ALDH1A1 (0.48) PPARAPPARGPPARDL3MBTL1TSHR
SCHEMBL6555819 0.84 PPARG (0.52) MAPTPPARAPPARGPPARD
SCHEMBL6556037 0.83 PPARA (0.51) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL6555912 0.81 PPARG (0.53) MAPTPPARAPPARGPPARDL3MBTL1
SCHEMBL6556041 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL6555825 0.76 PPARA (0.61) PPARAPPARGPPARDL3MBTL1TSHR
SCHEMBL6555903 0.76 KDM4E (0.61) PPARAPPARGPPARDL3MBTL1TSHR
SCHEMBL6555805 0.76 KDM4E (0.63) PPARAPPARGPPARDL3MBTL1TSHR
SCHEMBL6555833 0.75 KDM4E (0.62) PPARAPPARGL3MBTL1TSHRKDM4E

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