SCHEMBL7840449

SCHEMBL7840449

O=Cc1ccc2ccccc2c1CC(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
GMNN O75496 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CMKLR1 Q99788 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL27516488 0.81 KDM4E (0.63) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL628772 0.80 KDM4E (0.45) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL9701408 0.74 PTPN1 (0.65) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL9956288 0.73 TDP1 (0.65) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL12426752 0.73 NCEH1 (0.45) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3282190 0.73 PTPN1 (0.62) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3383364 0.73 ERN1 (0.42) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL5857951 0.71 PTPN1 (0.71) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29457006 0.71 PTPN1 (0.71) PTPN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL17077951 0.71 CDC25B (0.61) PTPN1MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121095-A1 UV PROTECTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-08-08 EP disclosed
WO-2000023042-A1 UV PROTECTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-27 WO disclosed