SCHEMBL11525690

SCHEMBL11525690

CCCCCCOC(C)(OCCCCCC)OP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.55
LPAR2 Q9HBW0 7/20 0.55
LPAR1 Q92633 5/20 0.55
SMPD1 P17405 6/20 0.53
LPAR5 Q9H1C0 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
GGPS1 O95749 1/20 0.41

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
SCHEMBL127571 0.92 SMPD1 (0.47) LPAR3LPAR2LPAR1SMPD1S1PR2
SCHEMBL8380842 0.84 LPAR3 (0.58) LPAR3LPAR2LPAR1SMPD1LPAR5
Trolamine SCHEMBL8464990 0.80 SMPD1 (0.38) LPAR3LPAR2LPAR1SMPD1S1PR2
SCHEMBL14841933 0.80 LPAR3 (0.42) LPAR3LPAR2LPAR1SMPD1S1PR2
SCHEMBL14841937 0.79 SMPD1 (0.37) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5463517 0.79 CYP3A4 (0.53) LPAR3LPAR2LPAR1
SCHEMBL28520719 0.79 LPAR3 (0.39) LPAR3LPAR2LPAR1SMPD1
SCHEMBL10826888 0.79 LPAR3 (0.39) LPAR3LPAR2LPAR1SMPD1
SCHEMBL8050897 0.78 CYP3A4 (0.47) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL28520717 0.78 CYP3A4 (0.38) LPAR3LPAR2LPAR1SMPD1GGPS1

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
US-4162230-A Method for the recovery of actinide elements from nuclear reactor waste THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1979-07-24 US claimed
US-4162230-A Method for the recovery of actinide elements from nuclear reactor waste THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1979-07-24 US disclosed
US-4162230-A Method for the recovery of actinide elements from nuclear reactor waste THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1979-07-24 US disclosed