SCHEMBL7607225

SCHEMBL7607225

CCCCCCNCCP(=O)(O)O

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.88
S1PR1 P21453 14/20 0.88
S1PR3 Q99500 14/20 0.88
S1PR4 O95977 9/20 0.88
S1PR5 Q9H228 3/20 0.88
LPAR2 Q9HBW0 4/20 0.64
LPAR3 Q9UBY5 3/20 0.64
ANPEP P15144 1/20 0.59
ERAP2 Q6P179 1/20 0.59
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.52

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
SCHEMBL5595569 1.00 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595619 1.00 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL5595461 0.98 S1PR2 (0.85) S1PR2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL5595552 0.98 S1PR2 (0.85) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5985309 0.98 S1PR2 (0.84) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL2418672 0.94 S1PR2 (0.92) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595548 0.91 S1PR2 (0.73) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphoric Acid SCHEMBL11503446 0.89 S1PR2 (0.76) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphoric Acid SCHEMBL7115228 0.89 S1PR2 (0.76) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphoric Acid SCHEMBL10874337 0.89 S1PR2 (0.76) S1PR2S1PR1S1PR3S1PR4S1PR5

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
JP-2002507591-A 2002-03-12 JP claimed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP claimed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO claimed