SCHEMBL5046240

SCHEMBL5046240

[CH2]C(C)CCOP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.43
LPAR2 Q9HBW0 6/20 0.43
LPAR1 Q92633 6/20 0.43
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
BTN3A1 O00481 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
MPI P34949 1/20 0.32
PGD P52209 1/20 0.32

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
SCHEMBL1270333 0.81 LPAR3 (0.46) LPAR3LPAR2LPAR1PGK1PGK2
Phosphoric Acid SCHEMBL27874485 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL26985916 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL2048486 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
Methane SCHEMBL7755990 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL31506206 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL28933243 0.79 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL5909088 0.77 LPAR3 (0.43) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL5963725 0.76 LPAR3 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL5586194 0.76 LPAR3 (0.47) LPAR3LPAR2LPAR1PGK1PGK2

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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed