SCHEMBL8155040

SCHEMBL8155040

CCC1CCCCC1C(C(N)O)P(=O)(O)S

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.33
GRIN3B O60391 5/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2A Q12879 5/20 0.33
GRIN2B Q13224 5/20 0.33
GRIN2C Q14957 5/20 0.33
GRIN3A Q8TCU5 5/20 0.33
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
METAP1 P53582 1/20 0.31
ANPEP P15144 2/20 0.30
ERAP2 Q6P179 2/20 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
SCHEMBL8153328 0.89 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8141005 0.88 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8642189 0.76
SCHEMBL8645781 0.73 ANPEP (0.37) METAP1ANPEPERAP2
SCHEMBL8643107 0.72 ANPEP (0.40) METAP1ANPEPERAP2
SCHEMBL8152905 0.72 ANPEP (0.40) METAP1ANPEPERAP2
SCHEMBL8153189 0.68 CA1 (0.33) ANPEPERAP2
SCHEMBL14639770 0.67 CA1 (0.40)
SCHEMBL21074754 0.67 CA1 (0.40)
SCHEMBL14781411 0.67 CA1 (0.35)

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
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed