SCHEMBL718888

SCHEMBL718888

NC(CCP(=O)(O)O)P(=O)(O)O.O=P(O)(O)C(CO)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.47
ENPEP Q07075 1/20 0.45
LAP3 P28838 5/20 0.44
ERAP2 Q6P179 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR2 O95136 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 4/20 0.39
ERAP1 Q9NZ08 3/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL7029155 0.87 ANPEP (0.58) ANPEPENPEPLAP3ERAP2ALDH1A1
SCHEMBL57183 0.87 ANPEP (0.58) ANPEPENPEPLAP3ERAP2ALDH1A1
SCHEMBL5163799 0.84 ANPEP (0.56) ANPEPENPEPLAP3ERAP2ALDH1A1
Ammonia Solution, Strong SCHEMBL15328272 0.84 ANPEP (0.56) ANPEPENPEPLAP3ERAP2ALDH1A1
Hypophosphorous Acid SCHEMBL7760738 0.78 ANPEP (0.50) ANPEPENPEPLAP3ERAP2ALDH1A1
SCHEMBL3904202 0.76 FDPS (0.48) ANPEPLAP3ERAP2ALDH1A1TDP1
SCHEMBL56898 0.76 FDPS (0.48) ANPEPLAP3ERAP2ALDH1A1TDP1
SCHEMBL10619694 0.74 FDPS (0.46) ANPEPLAP3ERAP2
SCHEMBL31304816 0.74 FDPS (0.46) ANPEPLAP3ERAP2
Ammonia Solution, Strong SCHEMBL1478027 0.74 FDPS (0.46) ANPEPLAP3ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053133-A1 ANTISEPTIC AGENT COMPOSITION TAIYO CORPORATION (JP) 2012-03-01 US claimed