SCHEMBL7419793

SCHEMBL7419793

COc1cccc(-c2ccc(C[C@H](NC(c3ccccc3)(c3ccccc3)P(=O)(O)O)C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.48
GPR34 Q9UPC5 3/20 0.46
PTGDR Q13258 1/20 0.46
PTPN5 P54829 1/20 0.45
SLC13A5 Q86YT5 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KIFC1 Q9BW19 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ACE P12821 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MMP1 P03956 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
SCHEMBL7419799 1.00 MME (0.48) MMEGPR34PTGDRPTPN5SLC13A5
SCHEMBL7415667 0.95 MME (0.45) MMEGPR34PTGDRKIFC1POLB
SCHEMBL7415653 0.95 MME (0.45) MMEGPR34PTGDRKIFC1POLB
SCHEMBL7407179 0.87 MME (0.50) MMEMMP2MMP9ACEACE2
SCHEMBL7407171 0.87 MME (0.50) MMEMMP2MMP9ACEACE2
SCHEMBL7413773 0.83 PTPN5 (0.46) MMEGPR34PTPN5KIFC1ACE
SCHEMBL7413785 0.83 PTPN5 (0.46) MMEGPR34PTPN5KIFC1ACE
SCHEMBL7415838 0.82 ITGA4 (0.55)
SCHEMBL7415830 0.82 ITGA4 (0.55)
SCHEMBL7341732 0.82 MMEL1 (0.48) MME

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 6 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
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed