SCHEMBL7409307

SCHEMBL7409307

COc1cc(C[C@H](NCP(=O)(O)O)C(=O)O)ccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.55
MME P08473 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACE P12821 1/20 0.48
ITGA4 P13612 4/20 0.47
ITGB1 P05556 3/20 0.47
ITGB7 P26010 1/20 0.45
FPR2 P25090 1/20 0.44
LDHA P00338 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL7409316 1.00 ECE1 (0.55) ECE1MMEMEN1KMT2AACE
SCHEMBL7417523 0.89 ITGA4 (0.59) ITGA4ITGB1ITGB7PPARA
SCHEMBL7417516 0.89 ITGA4 (0.59) ITGA4ITGB1ITGB7PPARA
SCHEMBL7413502 0.88 ECE1 (0.44) ECE1MMEMEN1KMT2AITGA4
SCHEMBL7411383 0.87 ITGA4 (0.43) ECE1MMEMEN1KMT2AITGA4
SCHEMBL7343653 0.86 MMEL1 (0.44) ECE1MMEACE
SCHEMBL7413501 0.84 ECE1 (0.49) ECE1ITGA4ITGB1ITGB7PPARA
SCHEMBL7411130 0.82 ITGA4 (0.42) ECE1MMEMEN1KMT2AITGA4
SCHEMBL7411378 0.81 PTPN5 (0.45) ECE1ITGA4ITGB1ITGB7FPR2
SCHEMBL7411389 0.81 PTPN5 (0.45) ECE1ITGA4ITGB1ITGB7FPR2

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