SCHEMBL8882178

SCHEMBL8882178

CCCCCCCCCCCC[N+](C)(C)CC(O)COP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 4/20 0.59
LPAR1 Q92633 11/20 0.55
LPAR3 Q9UBY5 8/20 0.55
LPAR2 Q9HBW0 5/20 0.55
LPAR4 Q99677 3/20 0.55
ENPP2 Q13822 3/20 0.55
LPAR6 P43657 2/20 0.55
PSMD14 O00487 1/20 0.50
PLA2G1B P04054 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CES2 O00748 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SGPL1 O95470 4/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR1 P21453 1/20 0.45
TSPO P30536 1/20 0.45

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
Ethylene Glycol SCHEMBL8890416 0.96 LPAR5 (0.55) LPAR5LPAR1LPAR3LPAR2LPAR4
Glycerin SCHEMBL8892211 0.94 LPAR5 (0.54) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6233994 0.84 LPAR3 (0.55) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL22032619 0.84 LPAR3 (0.55) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6239255 0.84 LPAR3 (0.55) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL9738872 0.82 PSMD14 (0.59) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6243942 0.82 PSMD14 (0.59) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6235592 0.82 PSMD14 (0.59) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6237246 0.82 PSMD14 (0.59) LPAR5LPAR1LPAR3LPAR2LPAR4
SCHEMBL6234843 0.81 LPAR5 (0.68) LPAR5LPAR1LPAR3LPAR2PSMD14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514588-B1 Novel phosphobetaine and detergent and cosmetic containing the same KAO CORP (JP) 1997-06-11 EP disclosed
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 US disclosed
EP-0514588-A2 Novel phosphobetaine and detergent and cosmetic containing the same Kao Corporation (JP) 1991-11-25 EP disclosed