SCHEMBL8916478

SCHEMBL8916478

CCOP(=O)(OCC)C(NC/C=C(\C)CC/C=C(\C)CCC=C(C)C)P(=O)(O)O.[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.51
PGGT1B P53609 6/20 0.51
FNTB P49356 7/20 0.49

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
SCHEMBL8916369 0.91 FNTA (0.52) FNTAPGGT1BFNTB
SCHEMBL8915375 0.87 FNTA (0.62) FNTAPGGT1BFNTB
SCHEMBL6551480 0.75 FNTA (0.70) FNTAPGGT1BFNTB
SCHEMBL16079891 0.74 FNTA (0.51) FNTAPGGT1BFNTB
SCHEMBL16079895 0.74 FNTA (0.51) FNTAPGGT1BFNTB
SCHEMBL6551346 0.74 FNTA (0.73) FNTAPGGT1BFNTB
SCHEMBL14408750 0.73 FNTA (0.49) FNTAPGGT1BFNTB
SCHEMBL5190960 0.73 FNTA (0.49) FNTAPGGT1BFNTB
SCHEMBL31310901 0.70 KMT2A (0.53) FNTAPGGT1BFNTB
SCHEMBL8967882 0.70 FNTA (0.50) FNTAPGGT1BFNTB

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
US-5624917-A Method of inhibiting squalene synthetase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-29 US disclosed
EP-0541037-A2 Squalene synthetase inhibitory composition and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-12 EP disclosed