SCHEMBL8079819

SCHEMBL8079819

CC[C@H](C)C(COC(C)(Cc1ccccc1)C(=O)N[C@H]1CCOC1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
REN P00797 3/20 0.37
ATM Q13315 1/20 0.37
SCN9A Q15858 2/20 0.37
KLK5 Q9Y337 2/20 0.36

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
SCHEMBL8065509 0.86 KMT2A (0.33) KMT2AMEN1CYP1A2RENATM
SCHEMBL9186835 0.85 MEN1 (0.42) KMT2AMEN1CYP1A2
SCHEMBL8072925 0.85 KMT2A (0.40) KMT2AMEN1CYP1A2RENATM
SCHEMBL8073492 0.84 KMT2A (0.38) KMT2AMEN1CYP1A2RENATM
Hydrochloric Acid SCHEMBL8065794 0.84 MEN1 (0.41) KMT2AMEN1CYP1A2
SCHEMBL5891931 0.83 FNTB (0.40) KMT2AMEN1CYP1A2
SCHEMBL5891488 0.82 SCN9A (0.43) KMT2ARENATMSCN9A
SCHEMBL8079961 0.80 PPARA (0.46) KMT2AATMKLK5
SCHEMBL8075158 0.76 KDM4E (0.36) KMT2A
SCHEMBL8065171 0.75 SYK (0.35) KMT2AMEN1CYP1A2RENATM

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-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed