SCHEMBL11077167

SCHEMBL11077167

CCCCCCCCCCCCCCCCCCS(=O)(=O)CC(O)COP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 4/20 0.57
LPAR1 Q92633 11/20 0.54
LPAR3 Q9UBY5 8/20 0.54
LPAR2 Q9HBW0 5/20 0.54
LPAR4 Q99677 3/20 0.54
ENPP2 Q13822 3/20 0.54
LPAR6 P43657 2/20 0.54
SGPL1 O95470 4/20 0.48
CES2 O00748 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
S1PR2 O95136 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSPO P30536 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL11090707 0.85 LPAR5 (0.47) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL11089390 0.85 LPAR5 (0.47) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL11083665 0.84 LPAR3 (0.46) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL11090225 0.82 ENPP2 (0.57) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL11127469 0.81 FABP3 (0.51) LPAR5S1PR1ALDH1A1TMEM97
Phosphoric Acid SCHEMBL11077164 0.80 CA2 (0.42) CES2
SCHEMBL10658463 0.77 LPAR5 (0.68) LPAR5LPAR1LPAR3LPAR2LPAR4
Dodecane SCHEMBL10660900 0.77 LPAR5 (0.68) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL10661421 0.77 LPAR5 (0.68) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL9497069 0.77 LPAR5 (0.68) LPAR5LPAR1LPAR3LPAR2LPAR4

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-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed