SCHEMBL6923012

SCHEMBL6923012

CC(C)(C)c1c(O)c(=O)[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 7/20 0.65
MAPT P10636 3/20 0.65
IDE P14735 1/20 0.65
MPI P34949 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
DAO P14920 1/20 0.64
DDO Q99489 1/20 0.64
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 1/20 0.50
TNKS O95271 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
SCHEMBL31182999 1.00 KDM4E (0.65) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL10018546 0.88 KDM4E (0.62) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL14506244 0.85 KDM4E (0.53) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL1884123 0.79 KDM4E (1.00) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL3360017 0.78 DAO (1.00) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL15690621 0.76 KDM4E (0.71) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL7807589 0.75 DAO (0.80) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL2726546 0.74 DAO (0.73) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL17942038 0.74 KDM4E (0.69) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL29505902 0.74 DAO (0.73) KDM4EALDH1A1MAPTIDEMPI

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
US-6514951-B1 LL-F28249 alpha-lambda or a 23-oxo or 23-imino derivative of AMERICAN CYANAMID COMPANY 2003-02-04 US disclosed