SCHEMBL8072925

SCHEMBL8072925

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARA Q07869 1/20 0.37
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
REN P00797 2/20 0.37
ATM Q13315 1/20 0.36
SCN9A Q15858 1/20 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
SCHEMBL8065171 0.88 SYK (0.35) KMT2AMEN1CYP1A2KLK7KLK5
SCHEMBL8079819 0.85 KMT2A (0.39) KMT2AMEN1CYP1A2KLK5REN
SCHEMBL8073492 0.83 KMT2A (0.38) KMT2AMEN1CYP1A2KLK5REN
Hydrochloric Acid SCHEMBL8078863 0.83 MEN1 (0.41) KMT2AMEN1CYP1A2
SCHEMBL5891464 0.83 MEN1 (0.37) KMT2AMEN1CYP1A2
SCHEMBL8065804 0.81 PPARA (0.47) KMT2APPARAKLK5ATM
SCHEMBL8065509 0.78 KMT2A (0.33) KMT2AMEN1CYP1A2RENATM
SCHEMBL5891488 0.78 SCN9A (0.43) KMT2ARENATMSCN9A
SCHEMBL8065165 0.77 KMT2A (0.32) KMT2AMEN1CYP1A2RENATM
SCHEMBL8961031 0.73 CTSS (0.40)

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 4 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
US-5686472-A ANTICARCINOGENIC AND -TUMOR AGENTS; SIDE EFFECT REDUCTION; INHIBITION OF FARNESYLATION OF THE RAS PROTEIN MERCK & CO., INC. (US) 1997-11-11 US 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