SCHEMBL11540558

SCHEMBL11540558

O=P(O)(O)C(N(Cc1ccccc1)Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.48
LAP3 P28838 3/20 0.48
ACP3 P15309 5/20 0.47
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
HPGD P15428 1/20 0.44
FDPS P14324 1/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPBWR1 P48145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL10384589 0.84 ANPEP (0.48) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL9232148 0.82 POLB (0.49) FDPSKMT2ATSHRMEN1ALDH1A1
SCHEMBL1197672 0.78 S1PR2 (0.48) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL1197675 0.78 ALDH1A1 (0.44) LAP3KMT2ATSHRMEN1ALDH1A1
SCHEMBL7192599 0.77 MEN1 (0.42) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL11542459 0.76 LAP3 (0.42) LAP3KMT2ATSHRMEN1ALDH1A1
SCHEMBL3425324 0.73 LAP3 (0.46) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL1655196 0.73 LAP3 (0.46) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL1197504 0.73 MEN1 (0.46) ANPEPLAP3ACP3ERAP1ERAP2
SCHEMBL1198741 0.73 S1PR2 (0.43) ANPEPLAP3ACP3ERAP1ERAP2

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-4150223-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed