SCHEMBL7417475

SCHEMBL7417475

COc1cccc(-c2ccc(CC(NCP(=O)(O)O)C(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.53
ACE P12821 1/20 0.51
KMT2A Q03164 2/20 0.50
PTGDR Q13258 1/20 0.50
ECE1 P42892 1/20 0.50
MEN1 O00255 1/20 0.50
SLC13A5 Q86YT5 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
MAOB P27338 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
FFAR1 O14842 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7417467 1.00 MME (0.53) MMEACEKMT2APTGDRECE1
SCHEMBL7415763 0.89 MME (0.49) MMEACEKMT2APTGDRSLC13A5
SCHEMBL7419794 0.88 MME (0.50) MMEKMT2APTGDRMEN1SLC13A5
SCHEMBL7407908 0.86 KMT2A (0.47) MMEACEKMT2APTGDRECE1
SCHEMBL7340874 0.86 MME (0.53) MMEACE
SCHEMBL7415659 0.84 KMT2A (0.48) MMEACEKMT2APTGDRPOLB
SCHEMBL7411127 0.84 MME (0.62) MMEACEKMT2AECE1MEN1
SCHEMBL7411123 0.84 MME (0.62) MMEACEKMT2AECE1MEN1
SCHEMBL7415759 0.83 MME (0.49) MMEKMT2APTGDRHCAR2FFAR1
SCHEMBL8921652 0.82 MME (0.45) MMEKMT2APTGDRITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed