SCHEMBL8380842

SCHEMBL8380842

CCCCCCCCCCCOC(CC)(OCCCCCCCCCCC)OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.58
LPAR2 Q9HBW0 7/20 0.58
LPAR1 Q92633 5/20 0.58
SMPD1 P17405 6/20 0.51
LPAR5 Q9H1C0 1/20 0.45
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
GGPS1 O95749 1/20 0.40

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
SCHEMBL11525690 0.84 LPAR3 (0.55) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL9633573 0.82 LPAR3 (0.58) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL9633561 0.78 LPAR3 (0.68) LPAR3LPAR2LPAR1LPAR5S1PR4
SCHEMBL26106906 0.78 LPAR3 (0.43) LPAR3LPAR2LPAR1
SCHEMBL11791100 0.78 LPAR3 (0.43) LPAR3LPAR2LPAR1
SCHEMBL37204 0.77 SMPD1 (0.42) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL3788787 0.76 LPAR3 (0.65) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL127571 0.76 SMPD1 (0.47) LPAR3LPAR2LPAR1SMPD1S1PR2
Phosphoric Acid Monododecyl Ester SCHEMBL9437045 0.74 LPAR3 (1.00) LPAR3LPAR2LPAR1SMPD1LPAR5
Hexadecyl Dihydrogen Phosphate SCHEMBL63748 0.74 LPAR3 (1.00) LPAR3LPAR2LPAR1SMPD1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741740-B1 METHOD OF PREPARING UNSYMMETRICAL PHOSPHORIC ACID DIESTERS AND SALTS ROCHE DIAGNOSTICS GMBH (DE) 1999-04-07 EP disclosed
US-5734042-A Process for the production of asymmetrical phosphoric acid diesters BOEHRINGER MANNHEIM GMBH (DE) 1998-03-31 US disclosed
EP-0741740-A1 METHOD OF PREPARING UNSYMMETRICAL PHOSPHORIC ACID DIESTERS AND SALTS Roche Diagnostics GmbH (DE) 1996-11-13 EP disclosed
WO-1995020596-A1 METHOD OF PREPARING UNSYMMETRICAL PHOSPHORIC ACID DIESTERS BOEHRINGER MANNHEIM GMBH (DE) 1995-08-03 WO disclosed