SCHEMBL6257802

SCHEMBL6257802

O=P(O)(O)OCCCS(=O)(=O)CC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.37
LPAR2 Q9HBW0 6/20 0.37
LPAR1 Q92633 4/20 0.37
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6260633 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL6258650 0.90 CA12 (0.32) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL6263873 0.89 CA12 (0.34) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL17898555 0.74 LPAR3 (0.47) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL19199597 0.73 JAK2 (0.32) CA2
SCHEMBL8657282 0.73 LPAR3 (0.50) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL10533858 0.71 LPAR3 (0.48) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL10534523 0.71 LPAR3 (0.48) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL8657353 0.71 LPAR3 (0.48) LPAR3LPAR2LPAR1S1PR4S1PR1
SCHEMBL10781105 0.71 LPAR3 (0.48) LPAR3LPAR2LPAR1S1PR4S1PR1

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
WO-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO claimed
WO-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO disclosed