SCHEMBL8304912

SCHEMBL8304912

CC(C)(C)OC(=O)OC(=O)C1CCNCC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.31
PLAT P00750 1/20 0.30

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
SCHEMBL6631827 0.79 MAPK1 (0.35) KDM4EMAPTTHRBMAPK1
SCHEMBL6595132 0.77 PARP1 (0.31) MAPK1
SCHEMBL12426356 0.76 CHRM3 (0.40) KDM4EMAPK1
SCHEMBL1514914 0.74 TSHR (0.41) KDM4EMAPTTHRBPLAT
SCHEMBL27753414 0.73
SCHEMBL2300592 0.72 ALDH1A1 (0.46) KDM4EMAPT
SCHEMBL2146291 0.72 TSHR (0.34) KDM4EMAPTTHRBPLAT
SCHEMBL6634675 0.71 MAPK1 (0.38) KDM4EMAPTTHRBMAPK1
Hydrochloric Acid SCHEMBL2302998 0.71 MAPT (0.45) KDM4EMAPT
SCHEMBL10587651 0.71 MAPK1 (0.33) MAPK1

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
EP-0897303-A4 1999-02-24 EP disclosed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP disclosed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed