SCHEMBL5610885

SCHEMBL5610885

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.58
LPAR3 Q9UBY5 7/20 0.58
LPAR6 P43657 3/20 0.58
LPAR4 Q99677 3/20 0.58
LPAR5 Q9H1C0 3/20 0.58
LPAR2 Q9HBW0 3/20 0.58
PRKD3 O94806 2/20 0.55
PRKCG P05129 2/20 0.55
PRKCB P05771 2/20 0.55
PRKCA P17252 2/20 0.55
PRKCH P24723 2/20 0.55
PRKCI P41743 2/20 0.55
PRKCE Q02156 2/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCZ Q05513 2/20 0.55
PRKCD Q05655 2/20 0.55
PRKD1 Q15139 2/20 0.55
AKT1 P31749 4/20 0.54
AKT2 P31751 3/20 0.54
AKT3 Q9Y243 3/20 0.54

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
SCHEMBL5610889 0.88 AKT1 (0.62) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL4401638 0.84 PRKD3 (0.72) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL10941340 0.81 AKT1 (0.55) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL4482312 0.81 LPAR1 (0.60) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL9576038 0.80 AKT1 (0.55) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL13697282 0.80 LPAR1 (0.51) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL14842644 0.80 PRKD3 (0.68) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL14843034 0.80 PRKD3 (0.68) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL18519898 0.80 PRKD3 (0.68) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL7032675 0.80 PRKD3 (0.68) LPAR1LPAR3LPAR6LPAR4LPAR5

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-1748772-A2 COMBINATION THERAPIES FOR CANCER AND PROLIFERATIVE ANGIOPATHIES UNIVERSITY OF SOUTH FLORIDA (US) 2007-02-07 EP disclosed
WO-2005110477-A2 COMBINATION THERAPIES FOR CANCER AND PROLIFERATIVE ANGIOPATHIES UNIVERSITY OF SOUTH FLORIDA (US) 2005-11-24 WO disclosed