SCHEMBL8445228

SCHEMBL8445228

CCCCCCOOP(O)(=S)OCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 17/20 0.55
LPAR2 Q9HBW0 13/20 0.55
LPAR1 Q92633 12/20 0.46
LPAR6 P43657 5/20 0.42
LPAR4 Q99677 5/20 0.42
LPAR5 Q9H1C0 5/20 0.42
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL7564149 0.82 LPAR3 (0.67) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL7608399 0.81 LPAR3 (0.48) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL14860489 0.80 LPAR3 (0.63) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL25268245 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR5
SCHEMBL28684547 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR5
SCHEMBL31235499 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR5
SCHEMBL28683468 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR5
SCHEMBL9150604 0.78 PPARD (0.33) LPAR3LPAR2
SCHEMBL8658599 0.76 LPAR3 (0.75) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL2151049 0.76 LPAR3 (0.75) LPAR3LPAR2LPAR1LPAR6LPAR4

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-0951571-A1 FLUID EXTRACTION OF METALS OR METALLOIDS IDAHO RESEARCH FOUNDATION, INC. (US) 1999-10-27 EP disclosed
WO-1998004753-A1 FLUID EXTRACTION OF METALS OR METALLOIDS IDAHO RESEARCH FOUNDATION, INC. (US) 1998-02-05 WO disclosed