SCHEMBL17107641

SCHEMBL17107641

[C]#CC(CCC)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.50
METAP1 P53582 2/20 0.43
LAP3 P28838 3/20 0.38
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
S1PR4 O95977 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL15537597 0.77 FDPS (0.50) FDPSMETAP1LAP3S1PR2S1PR1
Butane SCHEMBL7714644 0.76 FDPS (0.48) FDPSMETAP1LAP3S1PR2S1PR1
SCHEMBL4095556 0.67 FDPS (1.00) FDPSMETAP1LAP3
SCHEMBL3889795 0.67 FDPS (0.62) FDPSMETAP1LAP3LPAR3LPAR2
SCHEMBL2385904 0.65
SCHEMBL4536812 0.65
SCHEMBL8933408 0.65
SCHEMBL14763893 0.65
Butane SCHEMBL7716695 0.64 FDPS (0.39) FDPSMETAP1LAP3LPAR3LPAR2
SCHEMBL2283308 0.64

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-20150275206-A1 POLYMER CONJUGATES FOR DELIVERY OF BIOLOGICALLY ACTIVE AGENTS CARNEGIE MELLON UNIVERSITY (US) 2015-10-01 US disclosed