SCHEMBL8896847

SCHEMBL8896847

CC(=O)SCCOC(=O)OCOP(=O)(OCOC(=O)OCCSC(C)=O)C(CCc1cccc(Oc2ccccc2)c1)CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 13/20 0.40
PTGES O14684 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL8898240 0.86 FDFT1 (0.45) FDFT1FFAR1
SCHEMBL8896828 0.86 FDFT1 (0.47) FDFT1
SCHEMBL8898008 0.85 FDFT1 (0.43) FDFT1FFAR1
SCHEMBL8897788 0.85 FDFT1 (0.43) FDFT1FFAR1
SCHEMBL8897840 0.84 FDFT1 (0.42) FDFT1FFAR1
SCHEMBL8824799 0.82 FDFT1 (0.45) FDFT1
SCHEMBL8824814 0.82 FDFT1 (0.45) FDFT1
SCHEMBL8947188 0.74 FDFT1 (0.45) FDFT1
SCHEMBL8947220 0.72 FDFT1 (0.44) FDFT1
SCHEMBL9162239 0.71 FDFT1 (0.45) FDFT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618964-A Prodrug esters of phosphonosulfonate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed