SCHEMBL7419794

SCHEMBL7419794

COc1cccc(-c2ccc(C[C@H](NCP(=O)(Oc3ccccc3)Oc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
PTGDR Q13258 1/20 0.48
HCAR2 Q8TDS4 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
SLC13A5 Q86YT5 1/20 0.43
GPR34 Q9UPC5 3/20 0.43
MEN1 O00255 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7415659 0.95 KMT2A (0.48) MMEPTGDRPOLBKMT2AGAA
SCHEMBL7415763 0.91 MME (0.49) MMEPTGDRHCAR2POLBKMT2A
SCHEMBL7407175 0.90 MME (0.48) MME
SCHEMBL7417475 0.88 MME (0.53) MMEPTGDRHCAR2POLBKMT2A
SCHEMBL7417467 0.88 MME (0.53) MMEPTGDRHCAR2POLBKMT2A
SCHEMBL7413775 0.86 PPARG (0.49) MMEGPR34
SCHEMBL7407908 0.85 KMT2A (0.47) MMEPTGDRPOLBKMT2AGAA
SCHEMBL7415833 0.84 ITGA4 (0.55)
SCHEMBL31510352 0.84 ANPEP (0.48) MMEPOLBKMT2AMEN1
SCHEMBL7412181 0.84 MME (0.44) MMEKMT2AGPR34MEN1

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