SCHEMBL5992775

SCHEMBL5992775

COc1ccc(C(C)C)cc1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 5/20 0.54
HPGD P15428 5/20 0.54
CYP3A4 P08684 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL9767771 0.88 MAPT (0.55) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL487560 0.82 ALDH1A1 (0.50) MAPTKDM4EHSD17B10NPSR1HPGD
SCHEMBL9319733 0.81 HPGD (0.64) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL28344676 0.81 PTGDR2 (0.43) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL3964231 0.81 TP53 (0.66) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL8751765 0.81 HPGD (0.69) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL28424851 0.81 BCL2 (0.59) MAPTKDM4EHSD17B10MAPK1HTT
SCHEMBL30785077 0.81 TP53 (0.66) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL5990089 0.80 HSP90AA1 (0.55) MAPTKDM4EHSD17B10MAPK1HTT
SCHEMBL4049476 0.80 MAPT (0.64) MAPTKDM4EHSD17B10MAPK1ALOX15

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