SCHEMBL5989871

SCHEMBL5989871

CCc1ccc(OC)c(C(=O)c2cccc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.56
CNR2 P34972 13/20 0.54
CNR1 P21554 8/20 0.54
CYP2C9 P11712 1/20 0.52
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL5990471 0.82 CDC25B (0.56) CDC25BCNR2CNR1CYP2C9POLB
SCHEMBL9856908 0.81 CDC25B (0.59) CDC25BCNR2CNR1CYP2C9POLB
SCHEMBL26565632 0.80 ALDH1A1 (0.58) CNR2CNR1POLBMEN1KMT2A
SCHEMBL5991233 0.79 PPARG (0.56) POLBMEN1KMT2A
SCHEMBL30785075 0.79 PPARG (0.56) POLBMEN1KMT2A
SCHEMBL5990230 0.78 MAOB (0.46)
SCHEMBL5490326 0.77 CDC25B (0.50) CDC25BCNR2CNR1CYP2C9KMT2A
SCHEMBL5990023 0.76 NAMPT (0.55) CNR2CNR1
SCHEMBL5077492 0.75 ALDH1A1 (0.61) CNR2CNR1CYP2C9MEN1KMT2A
SCHEMBL11527165 0.75 MAPT (0.48) CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed