SCHEMBL7397406

SCHEMBL7397406

O=C(N[C@@H](Cc1ccc(-c2nccs2)cc1)C(=O)O)C(CS)S(=O)(=O)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
MME P08473 8/20 0.40
ACE2 Q9BYF1 6/20 0.39
ACE P12821 5/20 0.39
CPA1 P15085 5/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6162707 0.86 MME (0.51) ADRB2MMEACE2ACECPA1
SCHEMBL6161923 0.86 MME (0.51) ADRB2MMEACE2ACECPA1
SCHEMBL7397409 0.78 ADRB2 (0.47) ADRB2MMEACE2ACECPA1
SCHEMBL6161582 0.77 MME (0.66) MME
SCHEMBL3410335 0.77 MME (0.66) MME
SCHEMBL7315829 0.77 MME (0.66) MME
SCHEMBL6574501 0.77 MME (0.66) MME
SCHEMBL6161590 0.77 MME (0.66) MME
SCHEMBL6162747 0.76 MME (0.53) MMEACE2ACECPA1
SCHEMBL6162737 0.76 MME (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877740-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1998-11-18 EP claimed
WO-1997024342-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1997-07-10 WO claimed