SCHEMBL11005207

SCHEMBL11005207

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.66
LPAR1 Q92633 7/20 0.66
LPAR2 Q9HBW0 5/20 0.57
LPAR5 Q9H1C0 4/20 0.51
TLR2 O60603 3/20 0.51
S1PR2 O95136 5/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR4 O95977 4/20 0.49
LPAR6 P43657 3/20 0.48
LPAR4 Q99677 3/20 0.48
PLCG2 P16885 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
SCHEMBL2059626 0.88 LPAR1 (0.59) LPAR3LPAR1LPAR2LPAR5S1PR2
SCHEMBL8933348 0.88 LPAR1 (0.59) LPAR3LPAR1LPAR2LPAR5S1PR2
SCHEMBL1086081 0.83 LPAR5 (0.65) LPAR3LPAR1LPAR2LPAR5S1PR2
SCHEMBL1086079 0.83 LPAR5 (0.65) LPAR3LPAR1LPAR2LPAR5S1PR2
SCHEMBL19257792 0.81 LPAR1 (0.59) LPAR3LPAR1LPAR2LPAR5TLR2
Phosphoric Acid SCHEMBL9136512 0.81 LPAR1 (0.69) LPAR3LPAR1LPAR2LPAR5TLR2
Phosphoric Acid SCHEMBL9694084 0.80 LPAR1 (0.59) LPAR3LPAR1LPAR2LPAR5TLR2
SCHEMBL11004956 0.80 PLCG2 (0.66) LPAR3LPAR1LPAR2LPAR5PLCG2
SCHEMBL16475723 0.80 LPAR1 (0.58) LPAR3LPAR1LPAR2LPAR5TLR2
SCHEMBL11300983 0.80 LPAR1 (0.58) LPAR3LPAR1LPAR2LPAR5TLR2

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-4515722-A Phosphatidyl inositol analogs useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1985-05-07 US disclosed