SCHEMBL6555833

SCHEMBL6555833

Cn1c(COc2ccc(CC(Oc3ccccc3)C(=O)O)cc2)nc2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PPARG P37231 14/20 0.61
PPARA Q07869 11/20 0.61
ACKR3 P25106 2/20 0.52
NPC1 O15118 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PDE10A Q9Y233 1/20 0.49

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
SCHEMBL6555805 0.91 KDM4E (0.63) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6557982 0.91 L3MBTL1 (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555903 0.89 KDM4E (0.61) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555825 0.89 PPARA (0.61) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555770 0.87 KDM4E (0.59) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6556014 0.87 KDM4E (0.65) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555904 0.87 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555784 0.87 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6555876 0.85 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6556105 0.84 KDM4E (0.55) KDM4EALOX15TSHRTDP1L3MBTL1

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
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
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 disclosed
EP-1073643-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-02-07 EP disclosed
WO-1999008501-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-25 WO disclosed