SCHEMBL8065509

SCHEMBL8065509

CC[C@H](C)C(COC(C)(Cc1ccccc1)C(=O)N[C@@H]1CCOC1=O)NCC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
SYK P43405 1/20 0.33
SCN9A Q15858 3/20 0.32
ATM Q13315 1/20 0.32
ADORA1 P30542 1/20 0.32
REN P00797 6/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32

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 0.90 SYK (0.35) KMT2ASYKSCN9AATMADORA1
SCHEMBL8065165 0.87 KMT2A (0.32) KMT2ASYKSCN9AATMADORA1
SCHEMBL8079819 0.86 KMT2A (0.39) KMT2ASCN9AATMRENMEN1
SCHEMBL5891423 0.86 FNTA (0.39) KMT2ASCN9AATMREN
SCHEMBL8079882 0.86 FNTA (0.39) KMT2ASCN9AATMREN
SCHEMBL8075177 0.85 KDM4E (0.34) SCN9AADORA1REN
SCHEMBL8075650 0.84 CTRB1 (0.34) SCN9AADORA1REN
SCHEMBL8075466 0.84 SCN9A (0.33) SCN9AADORA1REN
SCHEMBL8961398 0.81 SCN9A (0.45) KMT2ASCN9AREN
SCHEMBL5891931 0.80 FNTB (0.40) KMT2AMEN1CYP1A2

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