SCHEMBL6555791

SCHEMBL6555791

CCOC(Cc1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.49
PPARG P37231 12/20 0.49
PPARD Q03181 8/20 0.49
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CXCR3 P49682 2/20 0.42

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
SCHEMBL6557882 0.94 KDM4E (0.44) PPARAPPARGPPARDKDM4EALOX15
SCHEMBL6555796 0.90 PPARA (0.53) PPARAPPARGPPARDKDM4EALOX15
SCHEMBL6556021 0.88 PPARA (0.59) PPARAPPARGPPARDCXCR3
SCHEMBL6556015 0.86 ALDH1A1 (0.56) PPARAPPARGPPARDGAACXCR3
SCHEMBL6555785 0.86 PPARA (0.55) PPARAPPARGPPARDGAASMN1; SMN2
SCHEMBL6555868 0.84 SMN1; SMN2 (0.47) PPARAPPARGPPARDKDM4EALOX15
SCHEMBL6556142 0.81 MEN1 (0.49) PPARAPPARGPPARDKDM4EALOX15
SCHEMBL6555825 0.81 PPARA (0.61) PPARAPPARGPPARDKDM4EALOX15
SCHEMBL6555882 0.80 MEN1 (0.52) PPARAPPARGPPARDGAARAB9A
SCHEMBL6555567 0.80 PPARA (0.60) PPARAPPARGPPARDKDM4EALOX15

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 6 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-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 claimed
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 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