SCHEMBL14195728

SCHEMBL14195728

CCCCCCOc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 20/20 0.93
S1PR1 P21453 20/20 0.93
S1PR3 Q99500 20/20 0.93
LPAR2 Q9HBW0 20/20 0.93
S1PR4 O95977 1/20 0.67
S1PR5 Q9H228 1/20 0.67

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
SCHEMBL14195726 0.99 S1PR2 (0.91) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195624 0.96 S1PR2 (1.00) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195724 0.96 S1PR2 (0.86) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195599 0.96 S1PR2 (1.00) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195597 0.96 S1PR2 (1.00) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195602 0.96 S1PR2 (1.00) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195739 0.89 S1PR2 (0.74) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195737 0.89 S1PR2 (0.74) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195736 0.88 S1PR2 (0.72) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL14195732 0.87 S1PR2 (0.74) S1PR2S1PR1S1PR3LPAR2S1PR4

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
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed