SCHEMBL6556047

SCHEMBL6556047

CCOC(=O)C(Cc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.52
PPARA Q07869 7/20 0.52
PPARD Q03181 3/20 0.52
GFER P55789 1/20 0.48
EIF4EBP1 Q13541 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL6555846 0.92 PPARA (0.60) PPARGPPARAPPARDGFEREIF4EBP1
SCHEMBL6555781 0.92 PPARG (0.54) PPARGPPARAPPARDGFEREIF4EBP1
SCHEMBL6557956 0.91 PPARG (0.50) PPARGPPARAPPARDMAPTGAA
SCHEMBL6555630 0.87 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL5935688 0.87 GFER (0.49) PPARGPPARAPPARDGFEREIF4EBP1
SCHEMBL6555809 0.83 PPARA (0.58) PPARGPPARAPPARDMAPTGAA
SCHEMBL6555912 0.83 PPARG (0.53) PPARGPPARAPPARDGFEREIF4EBP1
SCHEMBL6557982 0.83 L3MBTL1 (0.58) PPARGPPARAGAASMN1; SMN2TSHR
SCHEMBL6556054 0.83 PPARG (0.55) PPARGPPARAPPARDMAPT
SCHEMBL7096057 0.81 PPARA (0.42) PPARGPPARAPPARDHPGDMEN1

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