SCHEMBL7415317

SCHEMBL7415317

COC(=O)[C@@H](N)C(Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
SRR Q9GZT4 2/20 0.44
PSAT1 Q9Y617 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK5 Q9Y337 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 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
SCHEMBL7415313 1.00 CTSS (0.48) CTSSCTSKITGA4ITGB7HDAC1
SCHEMBL9833389 0.84 ITGA4 (0.47) CTSSCTSKITGA4ITGB7MEN1
SCHEMBL27773551 0.81 SLC1A1 (0.64) CTSSCTSKITGA4ITGB7ACE
Hydrochloric Acid SCHEMBL27782845 0.80 SRR (0.51) CTSSCTSKITGA4ITGB7MME
SCHEMBL28526410 0.80 ITGA4 (0.47) CTSSCTSKITGA4ITGB7HDAC1
SCHEMBL15268441 0.79 SLC1A1 (0.64) CTSSCTSKITGA4ITGB7ACE
SCHEMBL7813695 0.79 SLC1A1 (0.64) CTSSCTSKITGA4ITGB7ACE
SCHEMBL7946604 0.78 CTSS (0.47) CTSSCTSKITGA4ITGB7MME
SCHEMBL7840436 0.78 CTSS (0.47) CTSSCTSKITGA4ITGB7MME
SCHEMBL7957368 0.78 MME (0.47) CTSSCTSKMMEACEACE2

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