SCHEMBL28294963

SCHEMBL28294963

CCCCCCCCCCCCCCCCCC(C)(C)C(C)(N)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.44
SMPD1 P17405 4/20 0.44
GGPS1 O95749 6/20 0.38
TP53 P04637 1/20 0.37
CES2 O00748 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL22115552 1.00 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL7563586 1.00 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL7569184 1.00 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL27590252 0.84 FDPS (0.37) FDPS
SCHEMBL22115567 0.83 FDPS (0.43) FDPSSMPD1GGPS1TP53CES2
SCHEMBL22115554 0.83 FDPS (0.43) FDPSSMPD1GGPS1TP53CES2
SCHEMBL22115556 0.81 FDPS (0.42) FDPSSMPD1GGPS1TP53CES2
SCHEMBL22115569 0.81 FDPS (0.42) FDPSSMPD1GGPS1TP53CES2
SCHEMBL22115564 0.81 FDPS (0.42) FDPSSMPD1GGPS1TP53CES2
Sulfuric Acid SCHEMBL25184770 0.78 SMPD1 (0.48) FDPSSMPD1GGPS1TP53CES2

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
CN-110023325-A The peptide from fibronectin to Neutrophil elastase degradation neurological susceptibility of bioactivity and reduction with raising 尼优美特里克斯医疗有限公司 2019-07-16 CN disclosed
CN-109641030-A METHODS AND COMPOSITIONS FOR MODULATING OPIOID WITHDRAWAL SYMPTOMS 优特埃合伙有限公司 2019-04-16 CN disclosed