SCHEMBL7412178

SCHEMBL7412178

Cc1cc(C)cc(C(N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)(c2cc(C)cc(C)c2)P(=O)(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.47
ACE2 Q9BYF1 11/20 0.47
ACE P12821 11/20 0.47
CPA1 P15085 9/20 0.45
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
PTPN5 P54829 1/20 0.41
GPR34 Q9UPC5 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
SCHEMBL7412188 1.00 MME (0.47) MMEACE2ACECPA1ITGB3
SCHEMBL7413773 0.91 PTPN5 (0.46) MMEACE2ACECPA1PTPN5
SCHEMBL7413785 0.91 PTPN5 (0.46) MMEACE2ACECPA1PTPN5
SCHEMBL7407171 0.88 MME (0.50) MMEACE2ACECPA1
SCHEMBL7407179 0.88 MME (0.50) MMEACE2ACECPA1
SCHEMBL7308615 0.85 MMEL1 (0.53) MMEACE
SCHEMBL7415667 0.81 MME (0.45) MMEACE2ACECPA1GPR34
SCHEMBL7415653 0.81 MME (0.45) MMEACE2ACECPA1GPR34
SCHEMBL7466179 0.81 FPR2 (0.45) MMEACE2ACECPA1
SCHEMBL7466201 0.81 FPR2 (0.45) MMEACE2ACECPA1

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 3 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
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