SCHEMBL7366217

SCHEMBL7366217

CCOP(=O)(C[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCCOc1ccccc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
MME P08473 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
ECE1 P42892 1/20 0.44
ACE P12821 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7362201 0.88 HRH4 (0.57) MMEHRH4ECE1ACEMEN1
SCHEMBL7362207 0.88 HRH4 (0.57) MMEHRH4ECE1ACEMEN1
SCHEMBL7362203 0.88 HRH4 (0.57) MMEHRH4ECE1ACEMEN1
SCHEMBL10790695 0.86 MME (0.50) MMEHRH4ECE1ACEMEN1
SCHEMBL7368050 0.86 MME (0.50) MMEHRH4ECE1ACEMEN1
SCHEMBL9069494 0.84 ACE (0.61) MMEECE1ACE
SCHEMBL10792960 0.84 LTA4H (0.46) LTA4HMMEHRH4ECE1ACE
SCHEMBL7360720 0.83 HRH4 (0.52) MMEHRH4ECE1MEN1KMT2A
SCHEMBL7360715 0.83 HRH4 (0.52) MMEHRH4ECE1MEN1KMT2A
SCHEMBL7316396 0.79 MME (0.53) MMEHRH4ECE1ACEPOLB

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
EP-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP disclosed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP disclosed