SCHEMBL7216135

SCHEMBL7216135

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCCOP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.65
LPAR2 Q9HBW0 7/20 0.60
LPAR1 Q92633 6/20 0.60
ENPP2 Q13822 1/20 0.60
CNR1 P21554 1/20 0.49
S1PR1 P21453 1/20 0.47
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL7548385 0.88 LPAR3 (0.77) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL7124930 0.88 LPAR3 (0.77) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL7550150 0.88 LPAR3 (0.73) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL7116031 0.88 LPAR3 (0.77) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL8438271 0.88 LPAR3 (0.77) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL8438260 0.88 LPAR3 (0.77) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL5978775 0.86 LPAR3 (0.62) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL7108271 0.85 LPAR3 (0.66) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL9320338 0.85 LPAR3 (0.66) LPAR3LPAR2LPAR1ENPP2S1PR1
SCHEMBL27788145 0.85 LPAR3 (0.66) LPAR3LPAR2LPAR1ENPP2S1PR1

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
EP-1161436-B1 Polyunsaturated fatty acid derivatives and their use in the treatment of cancer ARDENIA INVESTMENTS LTD (GI) 2003-06-25 EP disclosed