SCHEMBL6026425

SCHEMBL6026425

O=P(O)(O)OC1CCCC(NCCO)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 2/20 0.41
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 1/20 0.40
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
CXCR4 P61073 1/20 0.31
DPP4 P27487 3/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3431004 0.83 INPP5A (0.42) INPP5AS1PR4S1PR1S1PR3ANPEP
SCHEMBL3429410 0.75
SCHEMBL2238021 0.71
SCHEMBL1484842 0.71
SCHEMBL3431002 0.70 INPP5A (0.42) INPP5AS1PR4S1PR1S1PR3ANPEP
SCHEMBL18501083 0.69 ANPEP (0.40) S1PR4S1PR1S1PR3S1PR5ANPEP
SCHEMBL7113872 0.69 KDM4E (0.50) ANPEPERAP2CXCR4DPP7
SCHEMBL11461187 0.69 KDM4E (0.50) ANPEPERAP2CXCR4DPP7
SCHEMBL1153406 0.69 KDM4E (0.50) ANPEPERAP2CXCR4DPP7
SCHEMBL131659 0.69 KDM4E (0.50) ANPEPERAP2CXCR4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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